SCHEMBL4895801

SCHEMBL4895801

CC(C)(C)Cc1ccc2c(c1)-c1cc(CC(C)(C)C)ccc1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
MAPT P10636 3/20 0.40
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CHEK1 O14757 1/20 0.31
CYP17A1 P05093 1/20 0.30

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
SCHEMBL4892863 0.88 ESR1 (0.43) ESR1MAPTTSHRALDH1A1ATM
SCHEMBL20280724 0.79 ESR1 (0.39) ESR1THRATHRB
SCHEMBL24618275 0.77 NPC1 (0.46) MAPTTSHRALDH1A1ATMNPSR1
SCHEMBL4886467 0.77 CNR1 (0.55) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL23397539 0.76 PBRM1 (0.49) ESR1
SCHEMBL4896965 0.76 ALDH1A1 (0.45) MAPTTSHRALDH1A1ATMNPSR1
SCHEMBL20280722 0.75 ESR1 (0.39) ESR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5713737 0.74 MAOA (0.37) ESR1NPC1RAB9ALMNA
SCHEMBL28240683 0.73 ESR1 (0.42) ESR1MAPTALDH1A1NPC1RAB9A
SCHEMBL4896384 0.73 SKP2 (0.47) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084559-B2 Ethylene-vinylcyclohexane copolymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-20080161514-A1 Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer SUMITOMO CHEMICAL COMPANY, LIMTIED (JP) 2008-07-03 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-20080161514-A1 Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer AOC2, ACSL1, ACSL3 ESR1 2401/4885MAPT 3437/4885TSHR 3725/4885

“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.