SCHEMBL20738910

SCHEMBL20738910

O=C1N(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ MAPK1 P28482 1/20 0.48
▸ EGLN1 Q9GZT9 3/20 0.46
▸ ADAMTS5 Q9UNA0 1/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ PGR P06401 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ ELANE P08246 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9342110 0.89 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL492292 0.89 GPR55 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29397606 0.89 GPR55 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16155527 0.85 PGR (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29833177 0.85 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2754763 0.85 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12573048 0.83 CNR1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20383358 0.81 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15030649 0.81 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13231436 0.81 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759755-B2 Bisphenol compound and aromatic polycarbonate HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2020-09-01 — — US disclosed
US-20190047954-A1 BISPHENOL COMPOUND AND AROMATIC POLYCARBONATE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2019-02-14 — — 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 (2 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-10759755-B2 Bisphenol compound and aromatic polycarbonate PAH, INCENP, BMP2 ALDH1A1 2603/4885CYP1A2 82/4885CYP3A4 483/4885
US-20190047954-A1 BISPHENOL COMPOUND AND AROMATIC POLYCARBONATE PAH, INCENP, BMP2 ALDH1A1 2603/4885CYP1A2 82/4885CYP3A4 483/4885

“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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