SCHEMBL17382982

SCHEMBL17382982

Brc1ccc(-c2ccc(-c3cccc4c3oc3c5ccccc5ccc43)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ARSA P15289 1/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ CDC25C P30307 1/20 0.41
▸ CYP1A1 P04798 12/20 0.40
▸ CYP1B1 Q16678 12/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ CYP1A2 P05177 11/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ PRKDC P78527 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL17382979 0.98 ARSA (0.42) ARSACDC25ACDC25CCYP1A1CYP1B1
SCHEMBL31534638 0.98 ARSA (0.42) ARSACDC25ACDC25CCYP1A1CYP1B1
SCHEMBL18271539 0.86 CYP1A1 (0.44) CYP1A1CYP1B1ADORA1ADORA3ADORA2A
SCHEMBL17382959 0.85 ARSA (0.42) ARSACDC25ACDC25CCYP1A1CYP1B1
SCHEMBL17167460 0.85 CYP1A1 (0.43) ARSACDC25ACDC25CCYP1A1CYP1B1
SCHEMBL17167459 0.85 CYP1A1 (0.54) CYP1A1CYP1B1ADORA1CYP1A2CYP3A4
SCHEMBL18271577 0.84 CYP1A1 (0.46) CYP1A1CYP1B1ADORA1CYP1A2CYP3A4
SCHEMBL15477930 0.84 ALDH1A1 (0.50) ADORA1ADORA3ADORA2ACYP1A2CYP3A4
SCHEMBL22688447 0.84 CYP1A1 (0.44) CYP1A1CYP1B1ADORA1CYP1A2CYP3A4
SCHEMBL18644796 0.83 CYP1A1 (0.56) ARSACDC25ACDC25CCYP1A1CYP1B1

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-20170125689-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-05-04 — — US disclosed
US-20170125689-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-05-04 — — US disclosed
WO-2015194791-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-12-23 — — WO 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-20170125689-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, OCIAD1 ARSA 2541/4885CDC25A 682/4885CDC25C 1921/4885

“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.

Send feedback