SCHEMBL534043

SCHEMBL534043

Cc1ccccc1-c1cc[c]cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MCL1 Q07820 1/20 0.42
TSHR P16473 2/20 0.41
ACHE P22303 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
HTR7 P34969 3/20 0.39
AR P10275 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL27686606 0.96 CA12 (0.48) CA12CA1CA2CA9MCL1
SCHEMBL28830541 0.96 CA12 (0.48) CA12CA1CA2CA9MCL1
SCHEMBL27571439 0.94 CA12 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL29212556 0.92 CA12 (0.42) CA12CA1CA2CA9MCL1
SCHEMBL27902263 0.92 CA12 (0.42) CA12CA1CA2CA9MCL1
Water SCHEMBL8948779 0.82 ESR2 (0.52) CA12CA1CA2CA9MCL1
SCHEMBL2750748 0.82 PDCD1 (0.38) CA12CA1CA2CA9TSHR
SCHEMBL29551674 0.82 CA12 (0.61) CA12CA1CA2CA9MCL1
SCHEMBL3633054 0.82 CA12 (0.61) CA12CA1CA2CA9MCL1
SCHEMBL1836912 0.79 MAPK1 (0.36) TSHRNPC1RAB9ASMN1; SMN2NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724785-A Method for asymmetric catalytic synthesis of 3,3-disubstituted chiral indolone derivative 重庆医科大学 2023-03-03 CN claimed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US claimed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP claimed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
EP-2160187-B1 SPIROINDALONES MERCK SHARP & DOHME (US) 2013-05-22 EP claimed
US-8309544-B2 Spiroindalones MERCK SHARP & DOHME CORP. (US) 2012-11-13 US claimed
US-20110136050-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND IMAGE FORMING APPARATUS INCLUDING THE SAME SHARP KABUSHIKI KAISHA (JP) 2011-06-09 US claimed
US-20110076602-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND IMAGE FORMING APPARATUS INCLUDING THE SAME SHARP KABUSHIKI KAISHA (JP) 2011-03-31 US claimed
US-20100137297-A1 SPIROINDALONES MERCK SHARP & DOHME LLC 2010-06-03 US claimed
CN-101678011-A Spiro-indolinone compounds MERCK & CO INC 2010-03-24 CN claimed
US-6962942-B2 Azacycloalkanone serine protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-11-08 US claimed
EP-1525185-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-04-27 EP claimed
WO-2004009533-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. (US) 2004-01-29 WO claimed
EP-1212300-B1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2003-11-05 EP claimed
US-20030109517-A1 Azacycloalkanone serine protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-12 US claimed
US-6521667-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-02-18 US claimed
US-6469029-B1 INHIBITORS OF THROMBIN PRODUCTION VIA FACTOR XA INHIBITION; COUPLED TO MEDICAL DEVICES, SUCH AS STENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-10-22 US claimed
CN-1362464-A Organic electroluminescent material UNIV QINGHUA (CN) 2002-08-07 CN claimed
EP-1212300-A1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
WO-2001019795-A1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA CA12 4730/4885CA1 4883/4885CA2 4672/4885
US-20100137297-A1 SPIROINDALONES HIF1AN, HIF1A, EGLN2 CA12 3141/4885CA1 2823/4885CA2 680/4885
US-20030109517-A1 Azacycloalkanone serine protease inhibitors CTRL, SERPINE1, SERPINB1 CA12 3887/4885CA1 1358/4885CA2 3511/4885

“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.