SCHEMBL12993232

SCHEMBL12993232

CC(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)s3)s2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.75
HDAC1 Q13547 4/20 0.55
NQO2 P16083 1/20 0.44
CES1 P23141 1/20 0.43
KIF11 P52732 1/20 0.42
HSD17B1 P14061 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MLYCD O95822 4/20 0.41
PRF1 P14222 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
SCHEMBL12973037 0.92 HDAC6 (0.63) HDAC6HDAC1NQO2CES1MLYCD
SCHEMBL12973104 0.86 HDAC6 (0.62) HDAC6HDAC1NQO2HSD17B1MAPT
SCHEMBL3093971 0.86 HDAC6 (1.00) HDAC6HDAC1KIF11
SCHEMBL14706472 0.81 HDAC6 (0.54) HDAC6HDAC1NQO2HSD17B1PRF1
SCHEMBL14706473 0.81 HDAC6 (0.54) HDAC6HDAC1NQO2HSD17B1PRF1
SCHEMBL14706471 0.81 HDAC6 (0.54) HDAC6HDAC1NQO2HSD17B1PRF1
SCHEMBL19056956 0.74 CES1 (0.65) HDAC6HDAC1CES1MLYCD
SCHEMBL28612660 0.74 HDAC6 (0.57) HDAC6NQO2HSD17B1MAPTSMN1; SMN2
SCHEMBL14706470 0.74 HDAC6 (0.47) HDAC6HDAC1NQO2HSD17B1PRF1
SCHEMBL25451198 0.73 HDAC6 (0.56) HDAC6HDAC1NQO2HSD17B1MAPT

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-20100301314-A1 CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT OSAKA UNIVERSITY (JP) 2010-12-02 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-20100301314-A1 CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT F12, F9, C9 HDAC6 990/4885HDAC1 1082/4885NQO2 1125/4885

“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.