SCHEMBL10024482

SCHEMBL10024482

CCC(O)C(O)Sc1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ FBP1 P09467 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ CTSD P07339 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ DNA2 P51530 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ GLA P06280 1/20 0.37

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
SCHEMBL16062760 0.87 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL10024457 0.82 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL2213952 0.76 TSHR (0.62) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL10024450 0.73 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL21802325 0.73 TSHR (0.58) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL9657224 0.71 TSHR (0.53) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL9087640 0.70 TSHR (0.51) TSHRSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3388756 0.70 TSHR (0.63) TSHRSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL2762222 0.70 TSHR (0.54) TSHRALDH1A1MAPTMEN1KMT2A
Alcohol SCHEMBL28827415 0.70 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1MAPTMEN1

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 TSHR 3233/4885SMN1; SMN2 4416/4885ALDH1A1 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.

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