SCHEMBL19081221

SCHEMBL19081221

CC1(C)c2ccccc2-c2c(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)cc3c(sc4c5ccccc5ccc34)c21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.36
CYP1B1 Q16678 5/20 0.36
CYP1A2 P05177 3/20 0.33
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 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
SCHEMBL19081331 0.95 CYP1A1 (0.33) CYP1A1CYP1B1CYP1A2
SCHEMBL19081174 0.95 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2
SCHEMBL19081081 0.91 CYP1A1 (0.35) CYP1A1CYP1B1CYP1A2
SCHEMBL19081313 0.89 CYP1A1 (0.34) CYP1A1CYP1B1CYP1A2
SCHEMBL19081097 0.88 CYP1A1 (0.34) CYP1A1CYP1B1CYP1A2
SCHEMBL19080385 0.88 CYP1A1 (0.37) CYP1A1CYP1B1CYP1A2
SCHEMBL19077044 0.88 CYP1A1 (0.32) CYP1A1CYP1B1CHRNA1CHRNGCHRNB1
SCHEMBL19081224 0.87 CYP1A1 (0.36) CYP1A1CYP1B1CYP1A2
SCHEMBL19081382 0.85 ALOX5 (0.34) CYP1A1CYP1B1CYP1A2
SCHEMBL19081270 0.84 CYP1A1 (0.38) CYP1A1CYP1B1CYP1A2

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-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 (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-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.