SCHEMBL5458094

SCHEMBL5458094

CCCCNc1ccc(CC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.61
FFAR1 O14842 1/20 0.51
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GFER P55789 1/20 0.48
LMNA P02545 3/20 0.47
SCN5A Q14524 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAOA P21397 1/20 0.47
CNR1 P21554 1/20 0.47
DRD4 P21917 1/20 0.47
ACHE P22303 1/20 0.47
HRH2 P25021 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
MAPK1 P28482 1/20 0.47
NTSR1 P30989 1/20 0.47
HRH1 P35367 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
SCHEMBL11235403 0.93 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10FFAR1RAB9A
SCHEMBL11242222 0.93 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10FFAR1RAB9A
SCHEMBL11235833 0.93 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10FFAR1RAB9A
SCHEMBL11234116 0.93 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10FFAR1RAB9A
SCHEMBL11240393 0.93 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10FFAR1RAB9A
SCHEMBL11227278 0.93 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10FFAR1RAB9A
SCHEMBL10576685 0.93 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10FFAR1RAB9A
Hydrochloric Acid SCHEMBL11237558 0.92 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10FFAR1RAB9A
SCHEMBL11038206 0.89 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10FFAR1RAB9A
SCHEMBL11306401 0.85 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10FFAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112759674-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2023-04-11 CN disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
EP-0701997-B1 Reaction products of anilines and bisphenolgylcidylethers, a process for their preparation and their use as hardening accelerators BAYER AG (DE) 2000-02-16 EP disclosed
EP-0701997-A1 Reaction products of anilines and bisphenolgylcidylethers, a process for their preparation and their use as hardening accelerators BAYER AG (DE) 1996-03-20 EP disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed
EP-0052296-B1 GLUTAMINE DERIVATIVES USABLE FOR CURING IMMUNE DISEASES, METHODS FOR THEIR PREPARATION AND COMPOSITIONS COMPRISING SAID DERIVATIVES MITSUBISHI KASEI CORPORATION (JP) 1984-06-27 EP disclosed
US-4439554-A DENTISTRY, ORTHOPEDICS AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1984-03-27 US disclosed
US-4439448-A IMMUNOMODULATING ACTIVITY MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1984-03-27 US disclosed
US-4390714-A DENTISTRY AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1983-06-28 US disclosed
EP-0052296-A1 Glutamine derivatives usable for curing immune diseases, methods for their preparation and compositions comprising said derivatives MITSUBISHI KASEI CORPORATION (JP) 1982-05-26 EP disclosed
US-4243763-A DENTISTRY AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1981-01-06 US disclosed
US-3957850-A ANALGESICS, ANTIINFLAMMATORY AGENTS BOUCHARA EMILE 1976-05-18 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 (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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A ALDH1A1 816/4885HPGD 918/4885HSD17B10 1008/4885

“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.