SCHEMBL19081895

SCHEMBL19081895

c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4cc6c(cc45)sc4cc5ccccc5cc46)cc3)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.38
ESR2 Q92731 7/20 0.38
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
HCRTR1 O43613 1/20 0.33
PRKDC P78527 1/20 0.32
LIMK1 P53667 1/20 0.32
F9 P00740 2/20 0.32
PGR P06401 1/20 0.31
MCL1 Q07820 1/20 0.31
AHR P35869 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 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
SCHEMBL17944956 0.91 ESR1 (0.38) ESR1ESR2MMP12MMP13HCRTR1
SCHEMBL19076659 0.90 AHR (0.35) ESR1ESR2MMP12MMP13HCRTR1
SCHEMBL17944068 0.90 ESR1 (0.38) ESR1ESR2MMP12MMP13HCRTR1
SCHEMBL19081886 0.90 ESR1 (0.38) ESR1ESR2LIMK1F9PGR
SCHEMBL17945381 0.90 ALDH1A1 (0.39) ESR2MMP12MMP13PRKDCLIMK1
SCHEMBL19081501 0.88 ESR1 (0.44) ESR1ESR2MMP12MMP13HCRTR1
SCHEMBL19076777 0.88 AHR (0.35) ESR1ESR2MMP12MMP13HCRTR1
SCHEMBL17944803 0.87 SMN1; SMN2 (0.35) ESR1ESR2MMP12MMP13HCRTR1
SCHEMBL19076729 0.87 AHR (0.35) ESR1ESR2MMP12MMP13HCRTR1
SCHEMBL17944676 0.87 ESR1 (0.45) ESR1ESR2MMP12MMP13HCRTR1

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 ESR1 225/4885ESR2 542/4885MMP12 4626/4885
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 ESR1 225/4885ESR2 542/4885MMP12 4626/4885

“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.