SCHEMBL18090989

SCHEMBL18090989

C=c1cccc(OC)c1=C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA4 P22748 1/20 0.50
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 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
SCHEMBL24236470 0.75 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL31116611 0.73 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL357145 0.73 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL1402629 0.70 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL217560 0.70 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL24379020 0.70 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL2090049 0.70 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL28148154 0.69 CA1 (0.65) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL27567930 0.69 CA1 (0.87) CA1CA2CA7CA9CA12
SCHEMBL12473426 0.69 CA1 (0.55) CA1CA2CA7CA9CA12

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-9745273-B2 Phenazine derivatives as anti-neoplastic agents and anti-infective agents UNIVERSITETET I OSLO (NO) 2017-08-29 US disclosed
US-20160251320-A1 Compounds UNIVERSITÉ CLAUDE BERNARD LYON 1 (FR) 2016-09-01 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-20160251320-A1 Compounds NISCH, MDN1, PIR CA1 4461/4885CA2 4197/4885CA7 2227/4885

“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.