SCHEMBL19081802

SCHEMBL19081802

c1ccc2cc(-c3c4ccccc4c(-c4c5oc6c7ccccc7ccc6c5cc5sc6ccccc6c45)c4ccccc34)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 13/20 0.43
CYP1B1 Q16678 13/20 0.43
CYP1A2 P05177 12/20 0.34
ABCB1 P08183 2/20 0.34
ABCC1 P33527 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PRKDC P78527 2/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
PDE5A O76074 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL17932261 0.84 NPC1 (0.33) CYP1A1CYP1B1CYP1A2CYP2C9CYP2C19
SCHEMBL19081812 0.83 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
SCHEMBL19081815 0.83 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
SCHEMBL17945677 0.83 CYP1A2 (0.36) CYP1A1CYP1B1CYP1A2CYP2C9CYP2C19
SCHEMBL10122604 0.83 CYP1A1 (0.52) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
SCHEMBL19081844 0.83 ABCG2 (0.34) CYP1A1CYP1B1CYP1A2ABCG2CYP2C9
SCHEMBL19076845 0.82 S1PR5 (0.38) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
SCHEMBL19081976 0.82 CYP1A1 (0.33) CYP1A1CYP1B1CYP1A2CYP2C9CYP2C19
SCHEMBL19076723 0.81 CYP1A1 (0.37) CYP1A1CYP1B1MAPTTDP1ARSA
SCHEMBL19081849 0.81 CYP1A1 (0.40) CYP1A1CYP1B1CYP1A2ABCB1ABCC1

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-10553800-B2 Condensed cyclic compound and an organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-04 US disclosed
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 US disclosed
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 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-10553800-B2 Condensed cyclic compound and an organic light-emitting device including the same CRY1, CRY2, CCNT1 CYP1A1 184/4885CYP1B1 260/4885CYP1A2 659/4885
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 CYP1A1 184/4885CYP1B1 260/4885CYP1A2 659/4885

“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.