SCHEMBL3844782

SCHEMBL3844782

CN(C)c1ccc2c(=O)cc(C(C)(C)C)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.54
▸ QPCT Q16769 1/20 0.48
▸ EPHX2 P34913 1/20 0.44
▸ TNKS O95271 1/20 0.44
▸ STS P08842 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ CCR4 P51679 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ APP P05067 1/20 0.39
▸ IGLV6-57 P01721 2/20 0.38
▸ SLC16A3 O15427 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGD P15428 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL8493141 0.84 ALDH1A1 (0.56) ALOX15EPHX2ALDH1A1KDM4EIGLV6-57
SCHEMBL25411899 0.82 ALOX15 (0.46) ALOX15QPCTEPHX2STSALDH1A1
SCHEMBL25413865 0.79 IGLV6-57 (0.60) ALOX15QPCTEPHX2STSALDH1A1
SCHEMBL25412346 0.78 ALOX15 (0.57) ALOX15EPHX2STSALDH1A1KDM4E
SCHEMBL8493156 0.78 ALOX15 (0.66) ALOX15QPCTTNKSALDH1A1KDM4E
SCHEMBL22032720 0.75 QPCT (0.79) QPCTTNKSALDH1A1KDM4EAPP
SCHEMBL12867892 0.75 ALOX15 (0.57) ALOX15TNKSSTSALDH1A1KDM4E
SCHEMBL840516 0.74 KDM4E (0.48) QPCTTNKSALDH1A1CCR4KDM4E
SCHEMBL30352933 0.74 KDM4E (0.48) QPCTTNKSALDH1A1CCR4KDM4E
SCHEMBL23172755 0.73 APP (0.43) ALOX15ALDH1A1APPSLC16A3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363124-A1 HETEROCYCLYL POLYMETHINE IR CHROMOPHORES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-11-25 — — US disclosed
WO-2020118116-A1 HETEROCYCLYL POLYMETHINE IR CHROMOPHORES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-06-11 — — WO disclosed
US-20090252687-A1 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES COOPER MICHAEL EDWARD 2009-10-08 — — US disclosed
EP-2046895-A2 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES GE Healthcare AS (NO) 2009-04-15 — — EP disclosed
WO-2008015415-A2 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES GE HEALTHCARE AS (NO) 2008-02-07 — — WO disclosed
US-5977351-A Benzpyrylium squarylium and croconylium dyes, and processes for their preparation and use POLAROID CORPORATION (US) 1999-11-02 — — US disclosed
US-5627014-A COMPOSITIONS FOR ABSORBERS OF HEAT WHILE COLORING POLAROID CORPORATION (US) 1997-05-06 — — US disclosed
US-5405976-A Infrared absorbers; solubility in solvents, polymers POLAROID CORPORATION (US) 1995-04-11 — — US disclosed
US-5262549-A Visible and near infra-red absorbers for images POLAROID CORPORATION (US) 1993-11-16 — — 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 (2 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-20090252687-A1 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES FCGR2A, FCGR3B, FCER2 ALOX15 3667/4885QPCT 123/4885EPHX2 746/4885
US-20210363124-A1 HETEROCYCLYL POLYMETHINE IR CHROMOPHORES SMARCE1, CRY2, WDR82 ALOX15 3731/4885QPCT 971/4885EPHX2 3937/4885

“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.

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