SCHEMBL20127367

SCHEMBL20127367

c1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.41
ESR2 Q92731 6/20 0.41
PRKDC P78527 3/20 0.40
PIK3CD O00329 2/20 0.40
XRCC6 P12956 2/20 0.40
XRCC5 P13010 2/20 0.40
PIK3CA P42336 1/20 0.40
GPR84 Q9NQS5 4/20 0.40
CYP1A1 P04798 3/20 0.39
CYP1B1 Q16678 3/20 0.39
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2B6 P20813 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
ALOX5 P09917 2/20 0.36
PGR P06401 1/20 0.35

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
SCHEMBL20127366 0.99 PRKDC (0.40) ESR1ESR2PRKDCPIK3CDXRCC6
SCHEMBL20127365 0.95 CYP1B1 (0.42) ESR1ESR2PRKDCPIK3CDXRCC6
SCHEMBL20127397 0.94 ESR1 (0.40) ESR1ESR2PRKDCPIK3CDXRCC6
SCHEMBL17944498 0.91 PIK3CD (0.42) ESR1ESR2PRKDCPIK3CDXRCC6
SCHEMBL10122597 0.91 GPR84 (0.39) ESR1ESR2PRKDCPIK3CDXRCC6
SCHEMBL26269558 0.90 ESR1 (0.39) ESR1ESR2PRKDCPIK3CDXRCC6
SCHEMBL20127362 0.90 PIK3CD (0.40) ESR1ESR2PRKDCPIK3CDXRCC6
SCHEMBL20127396 0.90 CYP1B1 (0.40) ESR1ESR2PRKDCPIK3CDXRCC6
SCHEMBL17943931 0.90 PIK3CD (0.41) ESR1ESR2PRKDCPIK3CDXRCC6
SCHEMBL10122577 0.89 GPR84 (0.40) ESR1ESR2PRKDCPIK3CDXRCC6

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-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 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-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE RER1, NR0B1, NR2E1 ESR1 152/4885ESR2 37/4885PRKDC 3891/4885

“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.