SCHEMBL18370862

SCHEMBL18370862

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c4)nc4sc5ccccc5c34)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.36
▸ HPGD P15428 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ADORA2A P29274 6/20 0.34
▸ ADORA1 P30542 5/20 0.34
▸ MAP3K8 P41279 3/20 0.33
▸ ELANE P08246 1/20 0.33
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 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
SCHEMBL18370860 0.97 CYP11B1 (0.37) CYP11B1HPGDALDH1A1TSHRMAPK1
SCHEMBL19106438 0.95 CYP11B1 (0.36) CYP11B1HPGDALDH1A1TSHRMAPK1
SCHEMBL19106415 0.94 CYP11B1 (0.36) CYP11B1HPGDALDH1A1TSHRMAPK1
SCHEMBL19106465 0.92 CYP11B1 (0.36) CYP11B1HPGDALDH1A1TSHRMAPK1
SCHEMBL18370750 0.91 ADORA2A (0.40) HPGDALDH1A1ADORA2AADORA1ELANE
SCHEMBL18017768 0.91 ADORA2A (0.40) HPGDALDH1A1ADORA2AADORA1ELANE
SCHEMBL18017810 0.91 ADORA2A (0.40) HPGDALDH1A1ADORA2AADORA1ELANE
SCHEMBL18370795 0.91 ADORA2A (0.40) HPGDALDH1A1ADORA2AADORA1ELANE
SCHEMBL18370776 0.91 ADORA2A (0.40) HPGDALDH1A1ADORA2AADORA1ELANE
SCHEMBL18017767 0.91 ADORA2A (0.40) HPGDALDH1A1ADORA2AADORA1ELANE

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-20170012216-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2017-01-12 — — US disclosed
US-20170012216-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2017-01-12 — — 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-20170012216-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 CYP11B1 1478/4885HPGD 1502/4885ALDH1A1 1905/4885

“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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