SCHEMBL16201860

SCHEMBL16201860

Cc1cc([N+]#N)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDE10A Q9Y233 1/20 0.46
ESR1 P03372 13/20 0.45
ESR2 Q92731 11/20 0.45
AR P10275 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL14609269 0.78 APP (0.43) TDP1KDM4EALDH1A1MAPTHPGD
SCHEMBL11748723 0.78 ALDH1A1 (0.40) TDP1ALDH1A1MAPTHPGD
SCHEMBL13751191 0.73 ACHE (0.37)
SCHEMBL14733276 0.73 ALOX15 (0.50) ESR1ESR2CYP1A2CYP2C9HPGD
SCHEMBL826511 0.73 CD44 (0.39) KDM4ECYP3A4CYP2D6PKM
SCHEMBL31619918 0.71 HTT (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL7253226 0.71 HSD17B10 (0.48) TDP1ESR1ESR2ARALDH1A1
Hydrochloric Acid SCHEMBL7645788 0.70 MEN1 (0.41) TDP1KDM4EALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10877478 0.70 APP (0.42) TDP1ESR1ALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL10982344 0.70 APP (0.42) TDP1ESR1ALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126899-B2 Photosensitive azobenzene derivative NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-09-08 US disclosed
US-20140323704-A1 PHOTOSENSITIVE AZOBENZENE DERIVATIVE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2014-10-30 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-20140323704-A1 PHOTOSENSITIVE AZOBENZENE DERIVATIVE CRY1, AKR1B10, CYP1B1 TP53 3235/4885TDP1 4461/4885PDE10A 1588/4885

“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.