SCHEMBL16985193

SCHEMBL16985193

C=CCN(CC=C)c1ccc2c(=O)c3ccc(N(CC=C)CC=C)cc3oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.43
▸ GLA P06280 6/20 0.43
▸ L3MBTL1 Q9Y468 5/20 0.43
▸ IGLV6-57 P01721 5/20 0.43
▸ HPGD P15428 5/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ ATM Q13315 4/20 0.43
▸ CASP1 P29466 4/20 0.43
▸ CASP7 P55210 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ KDM4E B2RXH2 7/20 0.42
▸ MAPT P10636 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ TDP1 Q9NUW8 4/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42

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
SCHEMBL16985192 0.92 MAOA (0.52) ALDH1A1GLAHPGDCYP3A4CASP1
SCHEMBL16985202 0.87 AGER (0.54) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL16296942 0.82 ALDH1A1 (0.49) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL3950391 0.81 ALDH1A1 (0.68) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL1752667 0.81 ALDH1A1 (0.70) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL8813329 0.80 IGLV6-57 (0.47) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL7230127 0.78 ALDH1A1 (0.67) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL29582092 0.78 ALDH1A1 (0.67) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL25411899 0.78 ALOX15 (0.46) ALDH1A1GLAL3MBTL1IGLV6-57HPGD
SCHEMBL9279833 0.77 ALDH1A1 (0.49) ALDH1A1GLAL3MBTL1IGLV6-57HPGD

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-10253185-B2 Fluorogenic pH-sensitive dyes and their methods of use (II) Life Technologies Corporation (US) 2019-04-09 — — US disclosed
US-20170145214-A1 FLUOROGENIC PH-SENSITIVE DYES AND THEIR METHODS OF USE (II) Life Technologies Corporation 2017-05-25 — — US disclosed
US-20170145214-A1 FLUOROGENIC PH-SENSITIVE DYES AND THEIR METHODS OF USE (II) Life Technologies Corporation 2017-05-25 — — US disclosed
US-9599622-B2 Fluorogenic pH-sensitive dyes and their methods of use (II) Life Technologies Corporation (US) 2017-03-21 — — US disclosed
US-9599622-B2 Fluorogenic pH-sensitive dyes and their methods of use (II) Life Technologies Corporation (US) 2017-03-21 — — US disclosed
US-20150241438-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use Life Technologies Corporation 2015-08-27 — — US disclosed
US-20150241438-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use Life Technologies Corporation 2015-08-27 — — US disclosed
US-20150218379-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use (II) Life Technologies Corporation 2015-08-06 — — US disclosed
US-20150218379-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use (II) Life Technologies Corporation 2015-08-06 — — 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-10253185-B2 Fluorogenic pH-sensitive dyes and their methods of use (II) ALPG, XDH, ASAH2 ALDH1A1 861/4885GLA 74/4885L3MBTL1 4091/4885
US-20150241438-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use ALPG, XDH, HEXD ALDH1A1 960/4885GLA 52/4885L3MBTL1 4212/4885

“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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