SCHEMBL19862198

SCHEMBL19862198

C1=Cc2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 2/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
DHODH Q02127 1/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK2 Q15119 2/20 0.31
CYP19A1 P11511 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GBA1 P04062 1/20 0.31
MEN1 O00255 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
SCHEMBL19862180 0.98 GAA (0.35) CYP3A4CYP2C9CYP1A2GAACYP2C19
SCHEMBL19862143 0.98 CYP3A4 (0.34) CYP3A4CYP2C9CYP1A2GAACYP2C19
SCHEMBL19862200 0.98 CYP1A2 (0.34) CYP3A4CYP2C9CYP1A2GAACYP2C19
SCHEMBL19862150 0.96 GAA (0.34) CYP3A4CYP2C9CYP1A2GAACYP2C19
SCHEMBL19862193 0.95 CYP1A2 (0.34) CYP3A4CYP2C9CYP1A2GAACYP2C19
SCHEMBL19862208 0.94 GAA (0.37) CYP3A4CYP2C9CYP1A2GAACYP2C19
SCHEMBL19862181 0.94 CYP1A2 (0.36) CYP3A4CYP2C9CYP1A2GAACYP2C19
SCHEMBL19862206 0.92 DHODH (0.36) CYP3A4CYP2C9CYP1A2GAACYP2C19
SCHEMBL19862213 0.92 DHODH (0.36) CYP3A4CYP2C9CYP1A2GAACYP2C19
SCHEMBL20224421 0.92 CYP3A4 (0.36) CYP3A4CYP2C9CYP1A2GAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10454039-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-10-22 US disclosed
US-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
US-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 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-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ORC3, AOX1, RCOR3 CYP3A4 216/4885CYP2C9 80/4885CYP1A2 298/4885
US-10454039-B2 Compound and organic electronic device using the same ORC3, AOX1, RCOR3 CYP3A4 216/4885CYP2C9 80/4885CYP1A2 298/4885

“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.