SCHEMBL983976

SCHEMBL983976

CCCc1c(C(C)(C)c2ccccc2)[c]ccc1C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33
KCNN4 O15554 1/20 0.33
NR3C2 P08235 2/20 0.32
NOS2 P35228 1/20 0.32
MAPK1 P28482 1/20 0.32
TAAR1 Q96RJ0 1/20 0.30
ALOX15 P16050 1/20 0.30
MEN1 O00255 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
SCHEMBL983284 0.93 ALDH1A1 (0.32) ALDH1A1ESR1CYP3A4ESR2NR3C2
SCHEMBL980318 0.88 ESR1 (0.34) ALDH1A1ESR1CYP3A4ESR2KCNN4
SCHEMBL982144 0.84 NR3C2 (0.34) ALDH1A1KDM4EGAAHPGDESR1
SCHEMBL982195 0.77 ESR1 (0.38) ALDH1A1ESR1CYP3A4ESR2KCNN4
SCHEMBL985492 0.75 NR3C2 (0.36) ALDH1A1KDM4EESR1CYP3A4ESR2
SCHEMBL984077 0.72 ESR1 (0.39) ALDH1A1ESR1CYP3A4ESR2KCNN4
SCHEMBL982152 0.71 ESR1 (0.42) ALDH1A1KDM4EGAAHPGDESR1
SCHEMBL9355767 0.70 NOS2 (0.39) ALDH1A1KDM4EHPGDNOS2MAPK1
SCHEMBL10496827 0.69 NOS2 (0.41) ALDH1A1KDM4EGAAHPGDNOS2
SCHEMBL984616 0.68 NR3C2 (0.38) ALDH1A1KDM4EESR1CYP3A4ESR2

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 ALDH1A1 2204/4885KDM4E 1003/4885GAA 187/4885

“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.