SCHEMBL17855897

SCHEMBL17855897

c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc6oc7c8ccccc8ccc7c6c5)cc4)c4ccc(-c5ccc6oc7c8ccccc8ccc7c6c5)cc4)ccc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.32
CYP1A1 P04798 4/20 0.32
CYP1B1 Q16678 4/20 0.32
CYP1A2 P05177 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
TSHR P16473 3/20 0.32
HSD17B10 Q99714 3/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PDE5A O76074 1/20 0.32
TP53 P04637 1/20 0.32
ABCB1 P08183 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
TACR2 P21452 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
SCHEMBL17855592 0.95 ALOX5 (0.36) PRKDC
SCHEMBL24527235 0.94 CYP1A1 (0.35) PRKDCCYP1A1CYP1B1CYP1A2KDM4E
SCHEMBL17804890 0.94 CYP1A1 (0.35) PRKDCCYP1A1CYP1B1CYP1A2KDM4E
SCHEMBL19152397 0.91 CYP1A1 (0.35) PRKDCCYP1A1CYP1B1CYP1A2KDM4E
SCHEMBL17855900 0.90 ABCG2 (0.34) CYP1A1CYP1A2KDM4EMAPTHPGD
SCHEMBL17855602 0.90 ALOX5 (0.37) PRKDC
SCHEMBL24887195 0.89 CYP1A1 (0.34) PRKDCCYP1A1CYP1B1CYP1A2KDM4E
SCHEMBL18164749 0.88 CYP1A1 (0.33) CYP1A1CYP1B1CYP1A2PTPRFPTPN2
SCHEMBL25621830 0.88 ALOX5 (0.37) KDM4EMAPTPIM1CSNK2A2CSNK2B
SCHEMBL25621836 0.88 ALOX5 (0.37) KDM4EMAPTPIM1CSNK2A2CSNK2B

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-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, ESR2, CCNE2 PRKDC 4864/4885CYP1A1 733/4885CYP1B1 1058/4885

“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.