SCHEMBL985492

SCHEMBL985492

CCc1cc[c]c(C(C)(C)c2ccccc2)c1CC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.36
ALDH1A1 P00352 2/20 0.34
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KCNN4 O15554 1/20 0.31
DRD2 P14416 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL982144 0.89 NR3C2 (0.34) NR3C2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL980318 0.84 ESR1 (0.34) NR3C2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL984616 0.80 NR3C2 (0.38) NR3C2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL983976 0.75 ALDH1A1 (0.33) NR3C2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL15063953 0.74 GABRA1 (0.30)
SCHEMBL983284 0.74 ALDH1A1 (0.32) NR3C2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL983062 0.73 SMN1; SMN2 (0.33) ALDH1A1ESR1ESR2KDM4EPOLB
SCHEMBL27845874 0.71 GABRA1 (0.41) NR3C2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL982195 0.69 ESR1 (0.38) NR3C2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL288010 0.68 ALDH1A1 (0.37) NR3C2ALDH1A1ESR1CYP3A4ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH NR3C2 4880/4885ALDH1A1 2204/4885ESR1 3842/4885

“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.