SCHEMBL1054597

SCHEMBL1054597

CCCCc1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.59
▸ FFAR4 Q5NUL3 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CA2 P00918 2/20 0.54
▸ CA1 P00915 1/20 0.54
▸ TAAR1 Q96RJ0 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ESR1 P03372 2/20 0.50
▸ ADRA2A P08913 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ TACR2 P21452 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
Ethane SCHEMBL28237426 0.98 FFAR1 (0.57) FFAR1FFAR4ALDH1A1GAAMAPT
Ethylene SCHEMBL27884218 0.95 FFAR1 (0.56) FFAR1FFAR4ALDH1A1GAAMAPT
SCHEMBL3601077 0.93 RARB (0.56) FFAR1FFAR4ALDH1A1GAAMAPT
SCHEMBL1430472 0.93 ALDH1A1 (0.59) FFAR1FFAR4ALDH1A1GAAMAPT
SCHEMBL8990715 0.91 RARB (0.55) FFAR1FFAR4ALDH1A1GAAMAPT
SCHEMBL13564082 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL2615718 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL3941872 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL2615717 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL9717309 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160036-A ADRENERGIC STIMULANTS ALLEN & HANBURYS LIMITED (GB) 1979-07-03 — — US claimed
EP-4276089-A2 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY Universite De Moncton (CA) 2023-11-15 — — EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 — — US disclosed
CN-116670140-A Macrocyclic compounds containing 1,3, 4-oxadiazole rings as modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 — — CN disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 — — US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 — — US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 — — US disclosed
US-11053260-B2 Tri-cycle compound and applications thereof FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2021-07-06 — — US disclosed
EP-2968211-B1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO PHARM SOLUTIONS CO LTD (KR) 2021-05-12 — — EP disclosed
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 — — US disclosed
WO-1996010003-A1 PROCESSES FOR THE PREPARATION OF (E)-2-FLUOROMETHYLENE-4-(4-FLUOROPHENYL) BUTYLAMINE AND ALKALI METAL SALTS OF DIFORMYLAMIDE HOECHST MARION ROUSSEL, INC. (US) 1996-04-04 — — WO disclosed
EP-0673368-A1 NOVEL NICOTINIC ACID ESTERS Pharmacia & Upjohn Aktiebolag (SE) 1995-09-27 — — EP disclosed
WO-1994000434-A1 NOVEL NICOTINIC ACID ESTERS KABI PHARMACIA AB (SE) 1994-01-06 — — WO disclosed
US-5189161-A Analgesics HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-23 — — US disclosed
US-5015738-A Analgesics HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-05-14 — — US disclosed
EP-0412470-A2 Benzo[b]pyrrolo[3,2,1-jk]benzodiazepines, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-02-13 — — EP disclosed
EP-0308476-A1 BISPHENYLALKYLPIPERAZINE DERIVATIVES, A METHOD OF THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION. LEO AB (SE) 1989-03-29 — — EP disclosed
WO-1988007528-A1 BISPHENYLALKYLPIPERAZINE DERIVATIVES, A METHOD OF THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION AKTIEBOLAGET LEO (SE) 1988-10-06 — — WO disclosed
EP-0079564-A1 3-(1-Substituted-4-piperidyl)-1,2-benzisoxazoles, a process for the preparation thereof, a pharmaceutical composition comprising the same, and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-05-25 — — EP disclosed
US-4160036-A ADRENERGIC STIMULANTS ALLEN & HANBURYS LIMITED (GB) 1979-07-03 — — 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 (6 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS FFAR1 3512/4885FFAR4 3800/4885ALDH1A1 3448/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP FFAR1 3008/4885FFAR4 4318/4885ALDH1A1 569/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP FFAR1 3008/4885FFAR4 4318/4885ALDH1A1 569/4885
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 FFAR1 3092/4885FFAR4 4410/4885ALDH1A1 1303/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP FFAR1 3008/4885FFAR4 4318/4885ALDH1A1 569/4885
US-11053260-B2 Tri-cycle compound and applications thereof SLC10A1, NR1H4, HAVCR2 FFAR1 4682/4885FFAR4 4725/4885ALDH1A1 2611/4885

“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.

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