SCHEMBL7930867

SCHEMBL7930867

CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.80
NPC1 O15118 2/20 0.80
CASP3 P42574 2/20 0.80
RAB9A P51151 2/20 0.80
SENP8 Q96LD8 2/20 0.80
SENP7 Q9BQF6 2/20 0.80
SENP6 Q9GZR1 2/20 0.80
PLA2G1B P04054 1/20 0.80
NFKB1 P19838 1/20 0.80
NFKB2 Q00653 1/20 0.80
RELA Q04206 1/20 0.80
L3MBTL1 Q9Y468 1/20 0.80
ATG4B Q9Y4P1 1/20 0.80
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA9 Q16790 6/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 4/20 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
SCHEMBL29926163 1.00 ALDH1A1 (0.80) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL29163430 0.96 NPC1 (0.81) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL5724160 0.95 NPC1 (0.88) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL31472800 0.95 ALDH1A1 (0.73) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL13433263 0.95 NPC1 (0.88) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL22871158 0.95 ALDH1A1 (0.73) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL13439536 0.92 NPC1 (0.89) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL2706394 0.91 ALDH1A1 (0.80) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL30552387 0.91 ALDH1A1 (0.80) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL29402468 0.89 NPC1 (1.00) ALDH1A1NPC1CASP3RAB9ASENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240023433-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, MANUFACTURING METHOD OF THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2024-01-18 US disclosed
US-20240023433-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, MANUFACTURING METHOD OF THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2024-01-18 US disclosed
CN-116444346-A Method for synthesizing bisphenol compound by catalysis of supported ionic liquid 郑州中科新兴产业技术研究院 2023-07-18 CN disclosed
CN-113278003-B Material with deuterated anthracene spirofluorene cyclic ether as main body and application 烟台九目化学股份有限公司 2022-07-15 CN disclosed
CN-113278003-A Material with deuterated anthracene spirofluorene cyclic ether as main body and application 烟台九目化学股份有限公司 2021-08-20 CN disclosed
EP-1467969-B1 DNA MINOR GROOVE BINDING COMPOUNDS UNIV STRATHCLYDE (GB) 2011-05-18 EP disclosed
US-7700765-B2 DNA minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2010-04-20 US disclosed
US-20070117760-A1 Dna minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2007-05-24 US disclosed
EP-0666267-B1 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2001-04-18 EP disclosed
US-5571880-A CATALYSTS FOR POLYMERIZATION OF OLEFINS ESPECIALLY TO OBTAIN SYNDIOTACTIC POLYMERS PHILLIPS PETROLEUM COMPANY (US) 1996-11-05 US disclosed
EP-0666267-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-08-09 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 (2 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-20070117760-A1 Dna minor groove binding compounds PCNA, POLL, POLM ALDH1A1 4824/4885NPC1 2675/4885CASP3 2834/4885
US-20240023433-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, MANUFACTURING METHOD OF THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE CYP1A1, CYP1B1, CYP2C9 ALDH1A1 38/4885NPC1 2611/4885CASP3 2656/4885

“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.