SCHEMBL49886

SCHEMBL49886

COc1ccccc1C([O])=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.60
STAT3 P40763 1/20 0.56
HTT P42858 2/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HPGD P15428 3/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51

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
Hydrogen Sulfide SCHEMBL29219475 0.98 CTSD (0.58) CTSDSTAT3HTTNPC1RAB9A
Bicarbonate SCHEMBL21517635 0.84 HTT (0.75) CTSDSTAT3HTTNPC1RAB9A
Bicarbonate SCHEMBL238308 0.84 HTT (0.75) CTSDSTAT3HTTNPC1RAB9A
Bicarbonate SCHEMBL29943714 0.84 HTT (0.75) CTSDSTAT3HTTNPC1RAB9A
Benzene SCHEMBL28074658 0.84 HTT (0.75) CTSDSTAT3HTTNPC1RAB9A
SCHEMBL29658169 0.84 CTSD (0.62) CTSDSTAT3HTTNPC1RAB9A
SCHEMBL322168 0.84 CTSD (0.62) CTSDSTAT3HTTNPC1RAB9A
SCHEMBL870484 0.84 CTSD (0.62) CTSDSTAT3HTTNPC1RAB9A
SCHEMBL54071 0.82 SMN1; SMN2 (0.68) CTSDSTAT3HTTNPC1RAB9A
SCHEMBL3527 0.82 HTT (0.78) CTSDSTAT3HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP claimed
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity THE KITASATO INSTITUTE (JP) 2011-07-28 US claimed
EP-2228376-A1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY The Kitasato Institute (JP) 2010-09-15 EP claimed
EP-0628064-B2 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-12-10 EP claimed
EP-0628064-B1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 1999-04-07 EP claimed
US-5585042-A REVERSIBLE CHANGE IN COLOR WHEN EXPOSURED TO ULTRAVIOLET RADIATION TRANSITIONS OPTICAL, INC. (US) 1996-12-17 US claimed
EP-0628064-A4 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1995-02-08 EP claimed
EP-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP claimed
US-5369158-A And polymer TRANSITIONS OPTICAL, INC. (US) 1994-11-29 US claimed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO claimed
US-5238981-A PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1993-08-24 US claimed
US-5101032-A Sensitizers for photopolymerization and electrography BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 US claimed
US-4039529-A Cycloaliphatic dicarbonyl containing azo dyestuffs CIBA-GEIGY AG (CH) 1977-08-02 US claimed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US claimed
US-3933786-A Heterocyclic-azo-phenyl compounds containing a styrl group CIBA-GEIGY AG (CH) 1976-01-20 US claimed
JP-1246283-A None JP disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
US-3963725-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-06-15 US disclosed
US-3936462-A CNS DEPRESSANT, ANALGESIC STERLING DRUG INC. (US) 1976-02-03 US disclosed
US-3933786-A Heterocyclic-azo-phenyl compounds containing a styrl group CIBA-GEIGY AG (CH) 1976-01-20 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 (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-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity ACAT2, ACAT1, AGPAT2 CTSD 3639/4885STAT3 3381/4885HTT 412/4885

“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.