Sugi Predict

Sugi Predict / Compounds / SCHEMBL131741

SCHEMBL131741

SCHEMBL131741

CCCCOc1c[c]ccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.53
▸ NR5A1 Q13285 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KCNA3 P22001 1/20 0.40
▸ MLNR O43193 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ PGR P06401 1/20 0.40

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
SCHEMBL28470964 0.98 LTA4H (0.52) LTA4HNR5A1TSHRCYP2D6CYP3A4
SCHEMBL532917 0.94 LTA4H (0.53) LTA4HNR5A1TSHRCYP3A4KCNA3
SCHEMBL10710506 0.93 LTA4H (0.47) LTA4HNR5A1TSHRCYP2D6CYP3A4
SCHEMBL8420511 0.93 LTA4H (0.51) LTA4HNR5A1TSHRCYP3A4KCNA3
SCHEMBL6536652 0.93 LTA4H (0.51) LTA4HNR5A1TSHRCYP3A4KCNA3
SCHEMBL6050554 0.93 LTA4H (0.51) LTA4HNR5A1TSHRCYP3A4KCNA3
SCHEMBL1664741 0.93 LTA4H (0.51) LTA4HNR5A1TSHRCYP3A4KCNA3
SCHEMBL533346 0.93 LTA4H (0.51) LTA4HNR5A1TSHRCYP3A4KCNA3
SCHEMBL9796880 0.93 LTA4H (0.51) LTA4HNR5A1TSHRCYP3A4KCNA3
SCHEMBL5014110 0.93 LTA4H (0.51) LTA4HNR5A1TSHRCYP3A4KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232120-B Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2- (1H) -ones 爱尔皮奥治疗有限公司 2021-01-08 — — CN claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 — — US claimed
CN-107141391-B Ethylene-polar styrene quasi-random copolymer and preparation method thereof 中国科学院长春应用化学研究所 2020-03-13 — — CN claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 — — US claimed
CN-106554325-B A kind of preparation method of chirality benzene sulfinyl aminated compounds 上海交通大学 2019-02-22 — — CN claimed
CN-109232145-A It is a kind of using dimer (fatty acid) yl diisocyanate as the HTPB propellant of curing agent 湖北航天化学技术研究所 2019-01-18 — — CN claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 — — US claimed
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 — — US claimed
CN-107141391-A A kind of quasi- random copolymer of ethylene polar styrene and preparation method thereof 中国科学院长春应用化学研究所 2017-09-08 — — CN claimed
EP-3206683-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR ANESTHESIA The Board of Trustees of the Leland Stanford Junior University (US) 2017-08-23 — — EP claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 — — US claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 — — WO claimed
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 — — CN claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 — — EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 — — WO claimed
EP-0625520-B1 Thiazolotriazole and thiazolodiazole derivatives with fungicidal activity ISAGRO SPA (IT) 1999-07-28 — — EP claimed
US-5384325-A Heterobicyclic derivatives with fungicidal activity ISAGRO S.R.L. (IT) 1995-01-24 — — US claimed
EP-0625520-A2 Thiazolotriazole and thiazolodiazole derivatives with fungicidal activity ISAGRO S.r.l. (IT) 1994-11-23 — — EP claimed
EP-0307106-B1 P- OR M-TERT BUTOXYPHENETHYL ALCOHOL AND PROCESS FOR PREPARING THE SAME HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1992-01-15 — — EP claimed
US-4483919-A 1-PHENYL-2-SUBSTITUTED-3-OXO-PYRAZOLIDINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1984-11-20 — — US claimed

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

For each of this compound's patents that has machine-readable text (5 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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR LTA4H 2328/4885NR5A1 3536/4885TSHR 3551/4885
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 LTA4H 1706/4885NR5A1 58/4885TSHR 471/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 LTA4H 2761/4885NR5A1 1776/4885TSHR 2455/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LTA4H 2984/4885NR5A1 1196/4885TSHR 2846/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LTA4H 2984/4885NR5A1 1196/4885TSHR 2846/4885

“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.