SCHEMBL2590610

SCHEMBL2590610

[c]1c(-c2ccccc2)ccc2c1ccc1c3ccccc3ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.50
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP2A6 P11509 1/20 0.43
PAX8 Q06710 1/20 0.38
CYP1B1 Q16678 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
HIF1A Q16665 2/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 3/20 0.36
CYP3A4 P08684 2/20 0.36
APEX1 P27695 1/20 0.36
PMP22 Q01453 1/20 0.36
CYP1A2 P05177 4/20 0.34

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
SCHEMBL815764 0.98 HPRT1 (0.46) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL5445053 0.82 HPRT1 (0.50) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL18221921 0.80 HPRT1 (0.40) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL23803187 0.78 HPRT1 (0.45) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL18317643 0.78 HPRT1 (0.45) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL79020 0.77 ALDH1A1 (0.35) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL18317229 0.76 CYP3A4 (0.44) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL18317395 0.76 MAPT (0.45) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL18317174 0.76 HPRT1 (0.42) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL18317478 0.76 HPRT1 (0.42) HPRT1ALDH1A1HSD17B10TSHRTDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9933701-B2 Photobase generator SAN APRO LTD. (JP) 2018-04-03 US disclosed
US-20160299429-A1 PHOTOBASE GENERATOR SAN APRO LTD. (JP) 2016-10-13 US disclosed
US-9269911-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
EP-2564441-A1 ORGANIC LIGHT-EMITTING DEVICE Canon Kabushiki Kaisha (JP) 2013-03-06 EP disclosed
US-20130037791-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-02-14 US disclosed
WO-2011136156-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-11-03 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-20160299429-A1 PHOTOBASE GENERATOR RER1, ARL1, ARF1 HPRT1 119/4885ALDH1A1 1895/4885HSD17B10 2577/4885

“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.