SCHEMBL288010

SCHEMBL288010

CC(C)(c1ccccc1)c1[c]ccc(C(C)(C)c2ccccc2)c1C(C)(C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR2 Q92731 1/20 0.37
MAPK1 P28482 1/20 0.32
KCNN4 O15554 1/20 0.32
NR3C2 P08235 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL27948286 0.81 ESR1 (0.44) ALDH1A1ESR1CYP3A4ESR2MAPK1
SCHEMBL288482 0.78 ALDH1A1 (0.39) ALDH1A1ESR1CYP3A4ESR2MAPK1
SCHEMBL982195 0.73 ESR1 (0.38) ALDH1A1ESR1CYP3A4ESR2MAPK1
SCHEMBL984077 0.70 ESR1 (0.39) ALDH1A1ESR1CYP3A4ESR2MAPK1
SCHEMBL9787333 0.69 ESR1 (0.52) ALDH1A1ESR1CYP3A4ESR2MAPK1
SCHEMBL2199266 0.69 ALDH1A1 (0.54) ALDH1A1ESR1CYP3A4ESR2MAPK1
SCHEMBL10634183 0.68 ESR1 (0.41) ALDH1A1ESR1CYP3A4ESR2MAPK1
SCHEMBL2487919 0.68 ALDH1A1 (0.34) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL985492 0.68 NR3C2 (0.36) ALDH1A1ESR1CYP3A4ESR2KCNN4
SCHEMBL980318 0.68 ESR1 (0.34) ALDH1A1ESR1CYP3A4ESR2KCNN4

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
EP-2427049-B1 SURFACTANTS IN AGROCHEMICAL FORMULATIONS CRODA INC (US) 2020-03-18 EP disclosed
US-8673816-B2 Surfactants in agrochemical formulations CRODA, INC. (US) 2014-03-18 US disclosed
EP-2427049-A1 SURFACTANTS IN AGROCHEMICAL FORMULATIONS Croda, Inc. (US) 2012-03-14 EP disclosed
US-20120040834-A1 Surfactants in Agrochemical Formulations CRODA INTERNATIONAL PLC (GB) 2012-02-16 US disclosed
WO-2010129662-A1 SURFACTANTS IN AGROCHEMICAL FORMULATIONS CRODA, INC. (US) 2010-11-11 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-20120040834-A1 Surfactants in Agrochemical Formulations HACL2, ALK, AGPS ALDH1A1 4345/4885ESR1 1468/4885CYP3A4 1539/4885

“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.