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SCHEMBL6862843

SCHEMBL6862843

CC(C)(C)CC(C)(C)c1ccc(O)c(C(C)(C)c2ccc(F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ SHBG P04278 1/20 0.46
▸ ESR1 P03372 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ AR P10275 2/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL1115741 0.86 CYP3A4 (0.48) CYP3A4HIF1ACYP2D6SHBGESR1
SCHEMBL29499209 0.86 CYP3A4 (0.48) CYP3A4HIF1ACYP2D6SHBGESR1
SCHEMBL768277 0.82 SHBG (0.57) CYP3A4HIF1ACYP2D6SHBGESR1
SCHEMBL30702410 0.80 SHBG (0.55) CYP3A4HIF1ACYP2D6SHBGESR1
SCHEMBL8606013 0.80 SHBG (0.55) CYP3A4HIF1ACYP2D6SHBGESR1
SCHEMBL6862846 0.80 CNR2 (0.49) —
SCHEMBL14369343 0.77 ESR1 (0.52) CYP3A4HIF1ACYP2D6SHBGESR1
SCHEMBL26764530 0.76 SHBG (0.61) CYP3A4HIF1ACYP2D6SHBGSMN1; SMN2
SCHEMBL14369344 0.75 SHBG (0.58) CYP3A4HIF1ACYP2D6SHBGESR1
SCHEMBL68434 0.75 SHBG (0.61) CYP3A4HIF1ACYP2D6SHBGESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 — — US disclosed
EP-1305297-A1 BENZOTRIAZOLES CONTAINING ALPHA-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2003-05-02 — — EP disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 — — US disclosed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 — — US disclosed
WO-2002012205-A1 BENZOTRIAZOLES CONTAINING α-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-14 — — WO 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-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 CYP3A4 60/4885HIF1A 1577/4885CYP2D6 558/4885

“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.