SCHEMBL3931357

SCHEMBL3931357

CCC(Cc1ccco1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.47
ALDH1A1 P00352 3/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 2/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
PRSS1 P07477 1/20 0.42
TMPRSS15 P98073 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN7 P35236 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
SCHEMBL1532410 0.87 TDP1 (0.47) ALDH1A1SLC1A3SLC1A2SLC1A1POLB
SCHEMBL18641665 0.85 ALDH1A1 (0.44) ALDH1A1POLBPKML3MBTL1MAPT
SCHEMBL22551032 0.84 MAPK1 (0.47) ALDH1A1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL28358733 0.83 ALDH1A1 (0.46) ALDH1A1SLC1A3SLC1A2SLC1A1POLB
SCHEMBL18641668 0.83 ALDH1A1 (0.40) ALDH1A1POLBPKML3MBTL1MAPT
SCHEMBL22982167 0.83 FOLH1 (0.56) SLC1A3SLC1A2SLC1A1
SCHEMBL11070093 0.83 CPA1 (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL18339092 0.82 NPC1 (0.42) ALDH1A1SLC1A3SLC1A2SLC1A1POLB
SCHEMBL28599247 0.82 GRIK1 (0.44) ALDH1A1SLC1A2SLC1A1PPARGALOX5
SCHEMBL1975525 0.80 ALDH1A1 (0.53) ALDH1A1POLBNPC1RAB9AGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901086-B Tobacco treatment 英美烟草(投资)有限公司 2024-05-31 CN disclosed
CN-114901086-A Tobacco treatment 英美烟草(投资)有限公司 2022-08-12 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
US-5800897-A Air freshener composition containing a fiber pad EASTMAN CHEMICAL COMPANY (US) 1998-09-01 US disclosed
WO-1997026926-A1 AIR FRESHENER COMPOSITION CONTAINING A FIBER PAD EASTMAN CHEMICAL COMPANY (US) 1997-07-31 WO 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 (1 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 NR4A2 2501/4885ALDH1A1 422/4885SLC1A3 4244/4885

“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.