SCHEMBL12513541

SCHEMBL12513541

CCCCOc1ccc(-c2ccc(CC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.63
CYP3A4 P08684 4/20 0.63
CYP2C9 P11712 6/20 0.58
CYP2C19 P33261 6/20 0.58
CYP19A1 P11511 5/20 0.58
CYP1A2 P05177 5/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
RARB P10826 4/20 0.53
LTA4H P09960 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL12199924 0.94 RARB (0.61) CYP2D6CYP3A4CYP2C9CYP2C19CYP19A1
SCHEMBL95824 0.94 SMN1; SMN2 (0.63) CYP2D6CYP3A4CYP1A2LMNAMAPT
SCHEMBL16561645 0.92 CYP3A4 (0.53) CYP2D6CYP3A4CYP2C9CYP2C19CYP19A1
SCHEMBL8348497 0.89 NR5A1 (0.62) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL5583851 0.89 CYP2D6 (0.76) CYP2D6CYP3A4CYP2C9CYP2C19CYP19A1
SCHEMBL9151170 0.89 CYP2D6 (0.76) CYP2D6CYP3A4CYP2C9CYP2C19CYP19A1
SCHEMBL23350372 0.88 NR5A1 (0.66) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL9072656 0.88 NR5A1 (0.66) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL14608534 0.88 NR5A1 (0.66) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL12302872 0.88 NR5A1 (0.66) LMNAMAPTSMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024665-B2 Polymer-stabilized liquid crystal composition and use thereof BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2024-07-02 US disclosed
US-20110178306-A1 Sulphonyl-1,2,4-Triazole Salts PHOSTECH LITHIUM INC. (CA) 2011-07-21 US disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 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-20110178306-A1 Sulphonyl-1,2,4-Triazole Salts TST, STS, SQOR CYP2D6 517/4885CYP3A4 33/4885CYP2C9 118/4885

“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.