SCHEMBL10024461

SCHEMBL10024461

CCCN(CCC(=O)O)c1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
HCAR3 P49019 1/20 0.48
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL624603 0.95 ALDH1A1 (0.61) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL19878308 0.82 ALDH1A1 (0.71) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL30379309 0.82 ALDH1A1 (0.71) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL19878455 0.79 ALDH1A1 (0.72) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL1148689 0.78 ALDH1A1 (0.52) ALDH1A1HCAR3LMNAMEN1KMT2A
SCHEMBL14304939 0.77 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7557551 0.75 ALDH1A1 (0.49) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL14342098 0.74 ALDH1A1 (0.54) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL18147563 0.74 ALDH1A1 (0.60) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL18147565 0.74 ALDH1A1 (0.60) ALDH1A1LMNANPSR1MEN1KMT2A

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 5 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-9637782-B2 Charged triplet-state quenchers for mitigation of photo-induced damage PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-05-02 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 ALDH1A1 814/4885HCAR3 3592/4885LMNA 151/4885

“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.