SCHEMBL7569429

SCHEMBL7569429

CSc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.57
MAPT P10636 2/20 0.50
ACACB O00763 2/20 0.46
CYP1A2 P05177 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
GRM5 P41594 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL20681670 0.90 ACACB (0.52) APPACACBCYP1A2ALDH1A1CYP1A1
SCHEMBL10300058 0.90 ACACB (0.52) APPACACBCYP1A2ALDH1A1CYP1A1
SCHEMBL20681657 0.83 ACACB (0.41) APPMAPTACACBCYP1A2MEN1
Diphenylacetylene SCHEMBL23754281 0.82 APP (0.75) APPMAPTCYP1A2MEN1NPC1
SCHEMBL27159386 0.80 ACACB (0.44) ACACBCYP1A2ALDH1A1PTGS2CYP1A1
SCHEMBL12513616 0.80 ASIC3 (0.45) APPMAPTACACBCYP1A2MEN1
SCHEMBL7567051 0.79 ACACB (0.45) ACACBGRM5ALDH1A1PTGS2LMNA
SCHEMBL14996347 0.79 APP (0.52) APPMAPTACACBMEN1NPC1
SCHEMBL27159383 0.79 RAB9A (0.47) MAPTACACBCYP1A2MEN1NPC1
SCHEMBL2114741 0.79 APP (0.92) APPMAPTCYP1A2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673884-B2 Matrix metalloproteinase (MMP) inhibitors and methods of use thereof Foresee Pharmaceuticals Co., Inc. (TW) 2023-06-13 US disclosed
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
WO-2017106426-A1 FE NANOPARTICLES WITH PPM CONTENTS OF PD, CU AND/OR NI, REACTIONS IN WATER CATALYZED BY THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 WO disclosed
WO-2017106426-A1 FE NANOPARTICLES WITH PPM CONTENTS OF PD, CU AND/OR NI, REACTIONS IN WATER CATALYZED BY THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 WO disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 US disclosed
EP-0889878-B1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC (CA) 2002-09-04 EP disclosed
EP-0889878-A1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-01-13 EP disclosed
US-5817700-A ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-10-06 US disclosed
WO-1997036863-A1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-09 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 (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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC APP 3274/4885MAPT 2908/4885ACACB 4570/4885
US-11673884-B2 Matrix metalloproteinase (MMP) inhibitors and methods of use thereof MMP12, MMP1, MMP11 APP 2225/4885MAPT 3907/4885ACACB 1997/4885
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC APP 2870/4885MAPT 2722/4885ACACB 4604/4885
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water TPR, SOD1, ZNF207 APP 1098/4885MAPT 661/4885ACACB 4565/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC APP 3274/4885MAPT 2908/4885ACACB 4570/4885

“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.