SCHEMBL6894341

SCHEMBL6894341

O=C(CCl)OC(c1ccccc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CTSD P07339 1/20 0.36
GSR P00390 1/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL6894883 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3291004 0.85 CYP1A2 (0.50) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL5583271 0.84 CYP1A2 (0.48) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL6894457 0.82 ALDH1A1 (0.50) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL112492 0.82 CYP1A2 (0.50) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL6895354 0.82 ALDH1A1 (0.52) CYP1A2TSHRALDH1A1KMT2AMAPT
SCHEMBL29529500 0.82 CYP1A2 (0.50) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL5583285 0.81 ALDH1A1 (0.51) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL11697021 0.80 ALDH1A1 (0.45) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL9217887 0.79 CRHBP (0.53) CYP1A2TSHRALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242653-A1 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2004-12-02 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-20040242653-A1 Photolabile esters and their uses DIMT1, DCTD, DTYMK CYP1A2 4649/4885TSHR 1938/4885ALDH1A1 2920/4885

“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.