SCHEMBL17657227

SCHEMBL17657227

Oc1ccc2c(c1)N(c1ccccc1)c1ccccc1C2(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CHRM2 P08172 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDK2 Q15119 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL18387369 0.91 CNR1 (0.40) CNR1GPR55ESR1ESR2ALDH1A1
SCHEMBL12723310 0.85 ALDH1A1 (0.37) CNR1GPR55ALDH1A1CYP1A2CYP3A4
SCHEMBL29833177 0.85 ALDH1A1 (0.41) CNR1GPR55ALDH1A1CYP1A2CYP3A4
SCHEMBL2754763 0.85 ALDH1A1 (0.41) CNR1GPR55ALDH1A1CYP1A2CYP3A4
SCHEMBL17657219 0.83 ESR1 (0.41) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL20383358 0.82 ALDH1A1 (0.39) CNR1GPR55ALDH1A1CYP1A2CYP3A4
SCHEMBL15030649 0.82 ALDH1A1 (0.39) CNR1GPR55ALDH1A1CYP1A2CYP3A4
SCHEMBL13231436 0.82 ALDH1A1 (0.37) CNR1GPR55ALDH1A1CYP1A2CYP3A4
SCHEMBL20383365 0.81 ALDH1A1 (0.36) CNR1GPR55ALDH1A1CYP1A2CYP3A4
SCHEMBL19860647 0.81 ESR1 (0.39) GPR55ESR1ESR2ALDH1A1CYP1A2

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
US-9893295-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-13 US disclosed
US-9893295-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-13 US disclosed
US-20160099421-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 US disclosed
US-20160099421-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 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-20160099421-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1B1, CRY2 CNR1 1067/4885GPR55 3090/4885ESR1 69/4885

“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.