SCHEMBL20910679

SCHEMBL20910679

Cc1ccc(-c2ccc3c(c2)c2cc(C)ccc2n3-c2cc(C(F)(F)F)ccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ ABCG2 Q9UNQ0 3/20 0.31
▸ PTGDR2 Q9Y5Y4 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ KIF11 P52732 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
SCHEMBL20910682 0.95 DHODH (0.32) DHODHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20910456 0.95 DHODH (0.35) DHODHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20910817 0.94 DHODH (0.37) DHODHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20910534 0.93 KIF11 (0.33) DHODHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20910995 0.93 DHODH (0.36) DHODHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20910541 0.93 KIF11 (0.34) DHODHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20910523 0.92 DHODH (0.32) DHODHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20910814 0.92 KIF11 (0.36) DHODHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21090058 0.92 DHODH (0.35) DHODHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20834711 0.91 ADORA3 (0.35) DHODHCYP1A2CYP3A4CYP2C9CYP2C19

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-10998504-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-05-04 — — US disclosed
US-20190115544-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-18 — — 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-10998504-B2 Organic molecules for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 DHODH 352/4885CYP1A2 1714/4885CYP3A4 736/4885
US-20190115544-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD1, OCIAD2, POU2F1 DHODH 352/4885CYP1A2 1714/4885CYP3A4 736/4885

“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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