SCHEMBL2965416

SCHEMBL2965416

OCc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 2/20 0.55
ATM Q13315 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
SRD5A2 P31213 1/20 0.51
CYP17A1 P05093 1/20 0.51
GPR84 Q9NQS5 1/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 1/20 0.46

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
SCHEMBL3453563 0.92 NPC1 (0.48) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL29008215 0.90 CHEK1 (0.44) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL3051643 0.88 TSHR (0.42) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL2310400 0.86 TSHR (0.42) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL2312811 0.85 GPR84 (0.55) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL16064651 0.85 SRD5A1 (0.51) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL7195015 0.84 GPR84 (0.60) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL598903 0.84 TSHR (0.58) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL14034508 0.83 TSHR (0.41) TSHRALDH1A1ATMNPSR1RAB9A
Fluorene SCHEMBL27579165 0.82 TSHR (0.61) TSHRALDH1A1ATMNPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921243-B2 Fabrics comprising a photocatalyst to produce singlet oxygen from ambient oxygen VENTANA RESEARCH CORPORATION 2014-12-30 US disclosed
EP-1819684-B1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INT BV (NL) 2013-08-07 EP disclosed
US-8481446-B2 Chemically-resistant coating composition VENTANA RESEARCH CORPORATION 2013-07-09 US disclosed
CN-1964965-B Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE 2012-07-04 CN disclosed
US-20120135651-A1 Fabrics Comprising a Photocatalyst to Produce Singlet Oxygen from Ambient Oxygen VENTANA RESEARCH CORPORATION 2012-05-31 US disclosed
US-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION VENTANA RESEARCH CORPORATION 2010-11-04 US disclosed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 WO disclosed
WO-2001077095-A2 DERIVATIVES OF ALPHA-MERCAPTOACETAMIDE NOVARTIS AG (CH) 2001-10-18 WO disclosed
US-5807880-A ANTICANCER AGENTS; DISEASES OF PROSTATE GLAND, MAMMARY GLANDS; ENDOMETRIOSIS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-09-15 US disclosed
CN-1177350-A Imidazole derivatives and pharmaceutical compositions thereof YAMANOUCHI PHARMA CO LTD (JP) 1998-03-25 CN disclosed
CN-1131944-A Azole derivative and pharmachutical composition thereof YAMANOUCHI PHARMACUETICAL CO L (JP) 1996-09-25 CN disclosed
EP-0721943-A1 AZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-07-17 EP 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 (5 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-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG TSHR 237/4885ALDH1A1 2456/4885ATM 1249/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG TSHR 237/4885ALDH1A1 2456/4885ATM 1249/4885
US-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION DNMT1, VCL, DNMT3L TSHR 4873/4885ALDH1A1 1103/4885ATM 1441/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A TSHR 43/4885ALDH1A1 2457/4885ATM 231/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG TSHR 237/4885ALDH1A1 2456/4885ATM 1249/4885

“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.