SCHEMBL9106331

SCHEMBL9106331

CC(C)(C)c1cc(Cc2ccc(O)cc2)cc(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.56
ESR2 Q92731 7/20 0.56
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
LMNA P02545 1/20 0.52
TYR P14679 1/20 0.52
ESRRG P62508 6/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ESRRB O95718 2/20 0.41
CYP3A4 P08684 1/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL12733320 0.85 LMNA (0.73) ESR1ESR2LMNATYRESRRG
SCHEMBL20472890 0.82 GABRA1 (0.50) GABRA1GABRB2LMNARXRARXRB
SCHEMBL4057123 0.81 CYP2C19 (0.50) ESR1ESR2GABRA1GABRB2LMNA
SCHEMBL29222655 0.80 GABRA1 (0.48) GABRA1GABRB2LMNARXRARXRB
SCHEMBL28433211 0.80 GABRA1 (0.48) GABRA1GABRB2LMNARXRARXRB
SCHEMBL9514169 0.79 GABRA1 (0.52) GABRA1GABRB2LMNATYRCYP3A4
SCHEMBL27273119 0.79 CALM1 (0.52) GABRA1GABRB2LMNARXRARXRB
Hydroquinone SCHEMBL28201930 0.79 TYR (0.61) ESR1ESR2GABRA1GABRB2LMNA
SCHEMBL292110 0.78 ESR1 (0.54) ESR1ESR2LMNATYRMEN1
SCHEMBL1121382 0.78 ESR1 (0.82) ESR1ESR2LMNATYRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658616-A1 HALOGEN-FREE SULPHONIC ACID ESTER AND/OR SULPHINIC ACID ESTER AS FLAME RETARDANT, FLAME RETARDANT SYNERGISTS AND RADICAL GENERATORS IN PLASTICS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2020-06-03 EP claimed
CN-111393841-B Preparation method of graphene nylon composite powder material for selective laser sintering 湖南华曙高科技股份有限公司 2022-09-23 CN disclosed
CN-111393841-A Preparation method of graphene nylon composite powder material for selective laser sintering 湖南华曙高科技有限责任公司 2020-07-10 CN disclosed
EP-2471799-B1 SAMARIUM COMPLEX AND USES THEREOF NAT UNIV CORP NARA INST (JP) 2015-04-15 EP disclosed
US-8975385-B2 Rare-earth complex and uses thereof National University Corporation NARA Institute of Science and Technology (JP) 2015-03-10 US disclosed
EP-2471799-A1 RARE-EARTH COMPLEX AND USES THEREOF National University Corporation Nara Institute of Science and Technology (JP) 2012-07-04 EP disclosed
US-20120140439-A1 RARE-EARTH COMPLEX AND USES THEREOF National University Corporation NARA Institute of Science and Technology (JP) 2012-06-07 US 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 (1 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-20120140439-A1 RARE-EARTH COMPLEX AND USES THEREOF LUC7L2, NDUFS5, NDUFS7 ESR1 1131/4885ESR2 1106/4885GABRA1 2912/4885

“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.