SCHEMBL3708516

SCHEMBL3708516

O=C(O)c1ccc(/N=N/c2cccc(O)c2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 2/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
PDE4A P27815 1/20 0.56
BLVRB P30043 1/20 0.56
KDR P35968 1/20 0.56
HTT P42858 1/20 0.56
CYP2C19 P33261 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP1A2 P05177 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 4/20 0.51

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
SCHEMBL12374379 1.00 ALDH1A1 (0.56) ALDH1A1TSHRCA12CA1CA2
SCHEMBL26730466 0.88 MEN1 (0.70) ALDH1A1TSHRCA12CA1CA2
SCHEMBL3385330 0.88 MEN1 (0.70) ALDH1A1TSHRCA12CA1CA2
SCHEMBL1624756 0.88 MEN1 (0.70) ALDH1A1TSHRCA12CA1CA2
SCHEMBL10930328 0.86 MEN1 (0.68) ALDH1A1TSHRCA12CA1CA2
SCHEMBL3437517 0.82 MEN1 (0.44) ALDH1A1TSHRCA12CA1CA2
SCHEMBL3386039 0.81 MEN1 (0.85) ALDH1A1TSHRCA12CA1CA2
SCHEMBL1624852 0.81 MEN1 (0.85) ALDH1A1TSHRCA12CA1CA2
SCHEMBL10334178 0.79 KMT2A (0.59) ALDH1A1TSHRCA12CA1CA2
SCHEMBL10334179 0.79 KMT2A (0.59) ALDH1A1TSHRCA12CA1CA2

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-20220142889-A1 TOPICAL COMPOSITION FRAMERGY INC. 2022-05-12 US disclosed
US-20220023829-A1 AMORPHOUS METAL ORGANIC FRAMEWORKS AND METHODS OF PREPARING THE SAME ABSORPTION SOLUTIONS LLC 2022-01-27 US disclosed
US-8940392-B2 Titanium based inorganic-organic hybrid solid material, method for preparing same and uses thereof UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2015-01-27 US disclosed
US-20120121904-A1 TITANIUM BASED INORGANIC-ORGANIC HYBRID SOLID MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF L'UNIVERSITE PIERRE ET MARIE CURIE, (PARIS 6) (FR) 2012-05-17 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-20220142889-A1 TOPICAL COMPOSITION CUTA, TYR, ERCC4 ALDH1A1 1484/4885TSHR 3821/4885CA12 2610/4885

“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.