SCHEMBL4800627

SCHEMBL4800627

Cc1ccc(C(C)(O)C#Cc2ccccc2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 1/20 0.37
NTSR1 P30989 1/20 0.37
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 1/20 0.34
KIF11 P52732 5/20 0.33

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
SCHEMBL11401297 0.78 CYP3A4 (0.48) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL29789973 0.78 CYP3A4 (0.48) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL28414737 0.77 MAPT (0.46) MAPTALDH1A1MEN1KMT2ACA12
SCHEMBL19130510 0.77 MAPT (0.46) MAPTALDH1A1MEN1KMT2ACA12
SCHEMBL1258715 0.74 CYP3A4 (0.52) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL29383293 0.74 CYP3A4 (0.52) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL28408574 0.73 MAPT (0.42) MAPTALDH1A1MEN1KMT2ACA12
SCHEMBL29428992 0.71 MAPT (0.70) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2980211 0.71 MAPT (0.70) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL10775408 0.70 ALDH1A1 (0.44) MAPTKDM4EALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332260-B2 Naphthopyrans annelated in C5-C6, their preparation and compositions and (CO)polymer matrices containing them CORNING INCORPORATED (US) 2008-02-19 US disclosed
EP-1114043-B1 NAPHTHOPYRANS ANNELATED IN C 6?-C 7?, THEIR PREPARATION AND COMPOSITIONS AND (CO)POLYMER MATRICES CONTAINING THEM CORNING INC (US) 2003-03-26 EP disclosed
EP-1119560-B1 NAPHTHOPYRANS ANNELATED IN C5-C6, THEIR PREPARATION AND COMPOSITIONS AND (CO) POLYMER MATRICES CONTAINING THEM CORNING SA (FR) 2003-03-05 EP disclosed
US-6506538-B1 Ophthalmic lenses, contact lenses, solar protection glasses, filters, camera optics or photographic apparatus optics or other optical devices CORNING S.A. (FR) 2003-01-14 US disclosed
US-20020197562-A1 Naphthopyrans annelated in C5-C6, their preparation and compositions and (CO)polymer matrices containing them BREYNE OLIVIER (FR) 2002-12-26 US disclosed
EP-1119560-A1 NAPHTHOPYRANS ANNELATED IN C5-C6, THEIR PREPARATION AND COMPOSITIONS AND (CO) POLYMER MATRICES CONTAINING THEM Corning S.A. (FR) 2001-08-01 EP disclosed
US-6207084-B1 PHOTOCHROMIC COMPOSITIONS AND PHOTOCHROMIC OPHTHALMIC ARTICLES (LENSES FOR EXAMPLE) WHICH CONTAIN SAID NAPHTHOPYRANS CORNING S.A. (FR) 2001-03-27 US disclosed
WO-2000015628-A1 NAPHTHOPYRANS ANNELATED IN C5-C6, THEIR PREPARATION AND COMPOSITIONS AND (CO) POLYMER MATRICES CONTAINING THEM CORNING S.A. (FR) 2000-03-23 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-20020197562-A1 Naphthopyrans annelated in C5-C6, their preparation and compositions and (CO)polymer matrices containing them C5, CCNC, C9 MAPT 2510/4885KDM4E 1929/4885ALDH1A1 442/4885

“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.