SCHEMBL18540401

SCHEMBL18540401

Cc1cc(C)cc(N(c2cccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn3)c2)c2cccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
DHODH Q02127 3/20 0.35
CYP11B1 P15538 5/20 0.34
CYP11B2 P19099 4/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
CYP2A6 P11509 1/20 0.32
LDHA P00338 2/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
PSMB5 P28074 1/20 0.30
FFAR1 O14842 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
SCHEMBL18540375 0.79 CYP11B1 (0.36) KDM1ACYP11B1CYP11B2CYP3A4HSD17B1
SCHEMBL18540383 0.78 HSD17B1 (0.39) KDM1ACYP11B1CYP11B2CYP3A4HSD17B1
SCHEMBL18540374 0.74 KDM1A (0.35) KDM1ADHODHCYP11B1CYP11B2CYP3A4
SCHEMBL13798949 0.74 LDHA (0.48) CYP11B1CYP11B2CYP3A4LDHAIDO1
SCHEMBL13798953 0.74 LDHA (0.48) CYP11B1CYP11B2CYP3A4LDHAIDO1
SCHEMBL17952949 0.73 HSD17B1 (0.53) DHODHCYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL24134487 0.73 HSD17B1 (0.38) KDM1ACYP11B1CYP11B2CYP3A4HSD17B1
SCHEMBL18540379 0.72 KDM1A (0.34) KDM1ADHODHCYP11B1CYP11B2CYP3A4
SCHEMBL24559523 0.72 L3MBTL1 (0.42) KDM1ACYP3A4
SCHEMBL12000719 0.72 APP (0.35) CYP3A4

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-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2017-02-23 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-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, POU2F1 KDM1A 326/4885DHODH 1537/4885CYP11B1 766/4885

“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.