SCHEMBL184046

SCHEMBL184046

COc1c(F)cccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.55
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
APEX1 P27695 4/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
BCHE P06276 1/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CASR P41180 1/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL29933044 1.00 ALB (0.55) ALBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28266600 0.86 CES2 (0.45) ALBALDH1A1KMT2ACES2CES1
SCHEMBL39857 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL1261333 0.85 KMT2A (0.50) ALBALDH1A1KMT2ACES2CES1
SCHEMBL21357577 0.84 ALB (0.47) ALBALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL699717 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL1341074 0.83 HTT (0.53) ALBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5444249 0.83 TSHR (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL528652 0.83 LMNA (0.43) ALBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24916 0.83 ALDH1A1 (0.57) ALBALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
CN-110088108-A SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS 利奥制药有限公司 2019-08-02 CN claimed
US-12630549-B2 Pyrazoleamide derivatives HOFFMANN-LA ROCHE INC. (US) 2026-05-19 US disclosed
US-12630541-B2 Compounds useful as inhibitors of ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2026-05-19 US disclosed
US-12466803-B2 BCKDK inhibitors and/or degraders PFIZER INC. (US) 2025-11-11 US disclosed
CN-120136858-A Compounds useful as ALCAT1 inhibitors 中美博瑞纳制药有限公司 2025-06-13 CN disclosed
CN-110709394-B Compounds useful as ALCAT1 inhibitors 中美博瑞纳制药有限公司 2025-02-21 CN disclosed
CN-118451066-A 3-Phenyl-1-benzothiophene-2-carboxylic acid derivatives as inhibitors of branched alpha ketoacid dehydrogenase kinase for the treatment of diabetes, kidney disease, NASH and heart failure 辉瑞大药厂 2024-08-06 CN disclosed
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed
EP-0266980-B1 PHARMACEUTICAL COMPOSITIONS, COMPRISING A 2,4-DIPHENYL-1,3-DIOXANE DERIVATIVE AND AN INHIBITOR OF THROMBOXANE A2 SYNTHESIS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-28 EP disclosed
EP-0201354-B1 2,4-DIPHENYL-1,3-DIOXANES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-19 EP disclosed
CN-1040977-A The preparation and the use of 4-Oxoquinoline-3-carboxylic acid derivative UBE INDUSTRIES (JP) 1990-04-04 CN disclosed
US-4908380-A Substituted 1,3-dioxane ether derivative; thromboxane A2 inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-13 US disclosed
US-4895962-A THROMBOXANE A2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-23 US disclosed
US-4775685-A THROMBOXANE A-2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-04 US disclosed
EP-0266980-A2 Pharmaceutical compositions, comprising a 2,4-diphenyl-1,3-dioxane derivative and an inhibitor of thromboxane A2 synthesis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed
EP-0201354-A2 2,4-Diphenyl-1,3-Dioxanes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-12 EP disclosed
US-4140769-A ANALGESICS MILES LABORATORIES, INC. (US) 1979-02-20 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 (3 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-12466803-B2 BCKDK inhibitors and/or degraders BCKDK, KHK, PDK4 ALB 3036/4885ALDH1A1 468/4885KDM4E 670/4885
US-12630541-B2 Compounds useful as inhibitors of ALCAT 1 LCLAT1, LPCAT1, ACAT2 ALB 1986/4885ALDH1A1 511/4885KDM4E 3151/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B ALB 2251/4885ALDH1A1 439/4885KDM4E 3127/4885

“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.