SCHEMBL335504

SCHEMBL335504

COc1ccc(C[C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
PLAU P00749 1/20 0.50
ELANE P08246 1/20 0.50
HTT P42858 1/20 0.50
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
ALOX5 P09917 1/20 0.49
CTBP2 P56545 1/20 0.49
CA4 P22748 1/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL9595063 0.92 PLAU (0.58) LTA4HUSP2TP53CES2CES1
SCHEMBL631022 0.85 LTA4H (0.57) LTA4HUSP2TP53CES2CES1
SCHEMBL27773350 0.82 CACNA1B (0.50) LTA4HUSP2TP53NPC1KDM4E
SCHEMBL28366589 0.81 LTA4H (0.53) LTA4HUSP2TP53CES2CES1
SCHEMBL6581234 0.81 LTA4H (0.53) LTA4HUSP2TP53CES2CES1
SCHEMBL571063 0.81 USP2 (0.69) USP2TP53CES2CES1NPC1
SCHEMBL10603224 0.80 USP2 (0.54) USP2TP53CES2CES1NPC1
SCHEMBL28303440 0.79 SMN1; SMN2 (0.84) LTA4HUSP2TP53CES2CES1
SCHEMBL127185 0.79 CES1 (0.52) CES2CES1ALDH1A1MAPTCTBP2
SCHEMBL29271945 0.78 L3MBTL1 (0.50) CES2CES1NPC1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104769006-B Regioregular copolymers and process for their preparation 英派尔科技开发有限公司 2017-03-08 CN claimed
US-8148423-B2 Fluorophore compounds VERSITECH LIMITED (CN) 2012-04-03 US claimed
US-20090253143-A1 FLUOROPHORE COMPOUNDS VERSITECH LIMITED (CN) 2009-10-08 US claimed
WO-2009121244-A1 FLUOROPHORE COMPOUNDS VERSITECH LIMITED (CN) 2009-10-08 WO claimed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO claimed
US-3953436-A 3,4-Dicarboxycephalosporins and derivatives ELI LILLY AND COMPANY (US) 1976-04-27 US claimed
US-20240209018-A1 UNIVERSAL LINKER REAGENTS FOR DNA SYNTHESIS GENSCRIPT USA INC. 2024-06-27 US disclosed
US-20240208955-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RESEARCH TRIANGLE INSTITUTE 2024-06-27 US disclosed
US-20240140984-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2024-05-02 US disclosed
US-11958879-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2024-04-16 US disclosed
EP-4347110-A1 ELECTROGRAFTED FILMS FOR DNA SYNTHESIS Genscript USA Inc. (US) 2024-04-10 EP disclosed
US-11952389-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2024-04-09 US disclosed
US-11944687-B2 Carbohydrate conjugate RNA agents and process for their preparation ALNYLAM PHARMACEUTICALS, INC. (US) 2024-04-02 US disclosed
US-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBVIE INC. 2001-12-06 US disclosed
WO-2001077134-A2 PROCESS FOR THE PREPARATION OF 6-O-PROPARGYL ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 2001-10-18 WO disclosed
US-6277868-B1 BACTERICIDES; SKIN DISORDERS ABBOTT LABORATORIES 2001-08-21 US disclosed
US-5057512-A Bactericides Uclaf, Roussel (FR) 1991-10-15 US disclosed
US-4900728-A ANTIBIOTICS ROUSSEL UCLAF (FR) 1990-02-13 US disclosed
US-4725591-A USED WITH AMINO ACID DERIVATIVE ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-02-16 US disclosed
EP-0050965-A1 Beta-lactamase inhibitory composition Takeda Chemical Industries, Ltd. (JP) 1982-05-05 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 (8 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-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists HRH4, HRH2, HRH3 LTA4H 436/4885USP2 3879/4885TP53 4836/4885
US-11958879-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 LTA4H 996/4885USP2 4282/4885TP53 3670/4885
US-20090253143-A1 FLUOROPHORE COMPOUNDS FUCA1, DNA2, LRAT LTA4H 2187/4885USP2 3282/4885TP53 2203/4885
US-11952389-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 LTA4H 891/4885USP2 4534/4885TP53 4857/4885
US-20240208955-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RXFP3, RXFP1, RXFP4 LTA4H 3420/4885USP2 3289/4885TP53 4821/4885
US-20240209018-A1 UNIVERSAL LINKER REAGENTS FOR DNA SYNTHESIS RNGTT, DTYMK, UNG LTA4H 2451/4885USP2 1362/4885TP53 1768/4885
US-20240140984-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 LTA4H 870/4885USP2 4107/4885TP53 4622/4885
US-11944687-B2 Carbohydrate conjugate RNA agents and process for their preparation RNASE1, IGF2BP1, IGF2BP2 LTA4H 4810/4885USP2 2094/4885TP53 1728/4885

“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.