SCHEMBL17829311

SCHEMBL17829311

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5cccnc5)cc4)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
CYP19A1 P11511 2/20 0.48
CYP17A1 P05093 1/20 0.48
CYP11B2 P19099 1/20 0.48
ALDH1A1 P00352 6/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
TSHR P16473 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL17829320 1.00 CYP11B1 (0.48) CYP11B1CYP19A1CYP17A1CYP11B2ALDH1A1
SCHEMBL17598596 0.95 CYP11B1 (0.48) CYP11B1CYP19A1CYP17A1CYP11B2ALDH1A1
SCHEMBL17598590 0.95 CYP11B1 (0.48) CYP11B1CYP19A1CYP17A1CYP11B2ALDH1A1
SCHEMBL21159987 0.94 CYP11B1 (0.48) CYP11B1CYP19A1CYP17A1CYP11B2ALDH1A1
SCHEMBL21131944 0.92 PIK3CA (0.47) CYP11B1CYP19A1CYP17A1CYP11B2ALDH1A1
SCHEMBL22639474 0.89 MAPT (0.44) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL22639497 0.89 MAPT (0.44) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL25682466 0.88 CYP11B1 (0.46) CYP11B1CYP19A1CYP17A1CYP11B2ALDH1A1
SCHEMBL21131844 0.88 TNF (0.42) CYP11B1CYP19A1CYP17A1CYP11B2ALDH1A1
SCHEMBL21160276 0.88 ATM (0.47) CYP11B1CYP17A1CYP11B2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498804-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-06-03 EP disclosed
EP-3498804-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-06-19 EP disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 CYP11B1 939/4885CYP19A1 375/4885CYP17A1 1136/4885

“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.