SCHEMBL23315066

SCHEMBL23315066

ICc1ccccc1CC#Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ APP P05067 1/20 0.44
▸ HTR2A P28223 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL28772084 0.78 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL17765435 0.78 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL17765446 0.78 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL9578479 0.78 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL31364315 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL28973803 0.77 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL3397750 0.75 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL647527 0.74 ALDH1A1 (0.40) CYP1A2ALDH1A1HPGDTSHRHSD17B10
SCHEMBL9578300 0.73 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL20091151 0.73 L3MBTL1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10998197-B2 Polymer and composition for forming organic film, substrate for manufacturing semiconductor apparatus, method for forming organic film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-05-04 — — 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-10998197-B2 Polymer and composition for forming organic film, substrate for manufacturing semiconductor apparatus, method for forming organic film, and patterning process CAD, APOB, SMCHD1 CYP1A2 520/4885CYP3A4 1140/4885CYP2C9 531/4885

“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.

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