SCHEMBL10024472

SCHEMBL10024472

CSCC(O)C(C)CSc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.44
▸ MAPT P10636 5/20 0.44
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SORT1 Q99523 1/20 0.38

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
SCHEMBL10024460 0.91 HTT (0.47) HTTTP53ALDH1A1MAPTKMT2A
SCHEMBL10024500 0.83 TP53 (0.43) HTTTP53ALDH1A1MAPTKMT2A
SCHEMBL10024448 0.83 HTT (0.49) HTTTP53ALDH1A1MAPTKMT2A
SCHEMBL10055061 0.81 HTT (0.44) HTTTP53ALDH1A1MAPTKMT2A
SCHEMBL28168037 0.78 HTT (0.57) HTTTP53ALDH1A1MAPTKMT2A
SCHEMBL6553716 0.76 ALDH1A1 (0.58) HTTTP53ALDH1A1MAPTKMT2A
SCHEMBL11794829 0.75 APEX1 (0.57) HTTTP53ALDH1A1MAPTKMT2A
SCHEMBL3861678 0.75 ALDH1A1 (0.62) HTTTP53ALDH1A1MAPTKMT2A
SCHEMBL9659388 0.74 ALDH1A1 (0.55) HTTTP53ALDH1A1MAPTKMT2A
SCHEMBL11824126 0.73 KMT2A (0.59) HTTTP53ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732382-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-08-15 — — US disclosed
US-20150079603-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-03-19 — — US disclosed
US-8834847-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-09-16 — — US disclosed
US-20120052488-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 — — 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 (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-20120052488-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS CRY1, ERCC1, ERCC4 HTT 385/4885TP53 297/4885ALDH1A1 814/4885

“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