SCHEMBL1464098

SCHEMBL1464098

OCC=Cc1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.65
PTGS1 P23219 3/20 0.56
PTGS2 P35354 1/20 0.56
NQO2 P16083 1/20 0.55
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
FBP1 P09467 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
THPO P40225 1/20 0.48
NPC1 O15118 1/20 0.48
CHRM5 P08912 1/20 0.48
GRM5 P41594 1/20 0.48
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
RELA Q04206 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1431422 1.00 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2CYP3A4
SCHEMBL1431132 1.00 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2CYP3A4
SCHEMBL29743079 1.00 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2CYP3A4
SCHEMBL9281030 0.85 ALDH1A1 (0.59) NFE2L2PTGS1CYP3A4ALDH1A1RECQL
SCHEMBL9272281 0.85 ALDH1A1 (0.59) NFE2L2PTGS1CYP3A4ALDH1A1RECQL
SCHEMBL8408908 0.85 NFE2L2 (0.61) NFE2L2PTGS1PTGS2NQO2CYP3A4
SCHEMBL8408904 0.85 NFE2L2 (0.61) NFE2L2PTGS1PTGS2NQO2CYP3A4
SCHEMBL700536 0.80 NFE2L2 (1.00) NFE2L2PTGS1PTGS2NQO2CYP3A4
SCHEMBL31317689 0.80 NFE2L2 (1.00) NFE2L2PTGS1PTGS2NQO2CYP3A4
SCHEMBL700537 0.80 NFE2L2 (1.00) NFE2L2PTGS1PTGS2NQO2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102337307-A Preparation method of optically active phenyl glycidol and derivatives thereof CHENGDU INST BIOLOGY CAS 2012-02-01 CN claimed
CN-113429249-B Method for synthesizing chiral 4-hydroxy amino acid derivative 陕西师范大学 2023-06-16 CN disclosed
US-20230120185-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-20 US disclosed
US-11485710-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-11-01 US disclosed
CN-113429249-A Method for synthesizing chiral 4-hydroxy amino acid derivative 陕西师范大学 2021-09-24 CN disclosed
US-20210253532-A1 Heterocyclic Amides as Kinase Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-19 US disclosed
US-10899716-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-01-26 US disclosed
EP-3298002-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-12-16 EP disclosed
US-20200165205-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 US disclosed
US-10590085-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-17 US disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
EP-1730127-A1 HETEROCYCLIC PHENYLAMINOPROPANOL DERIVATIVES AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth, A Corporation of the State of Delaware (US) 2006-12-13 EP disclosed
US-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2006-08-03 US disclosed
EP-1587781-A1 3-ARYLOXY/THIO-2,3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
WO-2005097761-A1 HETEROCYCLIC PHENYLAMINOPROPANOL DERIVATIVES AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
US-20050222142-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
WO-2004043903-A1 3-ARYLOXY/ THIO-2, 3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2004-05-27 WO disclosed
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10590085-B2 Heterocyclic amides as kinase inhibitors MAP3K19, MAP3K20, MAP3K1 NFE2L2 2368/4885PTGS1 1470/4885PTGS2 1823/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT NFE2L2 399/4885PTGS1 367/4885PTGS2 527/4885
US-20210253532-A1 Heterocyclic Amides as Kinase Inhibitors MAP3K19, MAP3K20, MAP3K1 NFE2L2 1985/4885PTGS1 1467/4885PTGS2 1610/4885
US-20230120185-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K1 NFE2L2 1985/4885PTGS1 1467/4885PTGS2 1610/4885
US-11485710-B2 Heterocyclic amides as kinase inhibitors MAP3K19, MAP3K20, MAP3K1 NFE2L2 1985/4885PTGS1 1467/4885PTGS2 1610/4885
US-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ADRB3, SLC6A3, SLC6A2 NFE2L2 909/4885PTGS1 2604/4885PTGS2 2642/4885
US-20050222142-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT NFE2L2 399/4885PTGS1 367/4885PTGS2 527/4885
US-10899716-B2 Heterocyclic amides as kinase inhibitors MAP3K19, MAP3K20, MAP3K1 NFE2L2 1985/4885PTGS1 1467/4885PTGS2 1610/4885
US-20200165205-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K1 NFE2L2 1985/4885PTGS1 1467/4885PTGS2 1610/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.