SCHEMBL29327972

SCHEMBL29327972

CCc1ccc(CC(C)I)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
ACACB O00763 1/20 0.40
CYP2A6 P11509 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL1178159 0.79 PTGS1 (0.48) TP53TSHRMAPK1ATMTDP1
SCHEMBL28973797 0.78 SLC6A2 (0.61) TAAR1ACACBCYP2A6CYP1A2CYP2D6
SCHEMBL13898915 0.78 TAAR1 (0.61) TAAR1ALDH1A1CYP1A2
SCHEMBL19546067 0.78 IDO1 (0.48) TSHRL3MBTL1ACACB
SCHEMBL24603673 0.77 SIGMAR1 (0.58) TAAR1CYP2A6CYP2D6
SCHEMBL6255650 0.77 SIGMAR1 (0.58) TAAR1CYP2A6CYP2D6
SCHEMBL12528349 0.75 TSHR (0.52) TP53TSHRMAPK1ATMTDP1
SCHEMBL12342703 0.75 TAAR1 (0.64) TAAR1CYP2A6
SCHEMBL932135 0.75 TAAR1 (0.64) TAAR1CYP2A6
SCHEMBL15161169 0.75 TP53 (0.42) TP53TSHRMAPK1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043636-B2 Method for producing triarylorganoborates COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2024-07-23 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-12043636-B2 Method for producing triarylorganoborates KMO, COASY, CYP3A4 TP53 3652/4885TSHR 3184/4885MAPK1 3390/4885

“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.