SCHEMBL7900756

SCHEMBL7900756

COC(=O)/C=C/c1ccc(CNC2(C(=O)OC3CCCC3)CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.43
HTT P42858 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TYR P14679 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
KDM1A O60341 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
RAB9A P51151 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38

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
Hydrochloric Acid SCHEMBL9894538 0.99 HTT (0.43) NR1H4HTTCA12CA1CA2
Hydrochloric Acid SCHEMBL9894536 0.99 HTT (0.43) NR1H4HTTCA12CA1CA2
SCHEMBL7897082 0.98 NR1H4 (0.43) NR1H4HTTCA12CA1CA2
Hydrochloric Acid SCHEMBL9896108 0.97 HTT (0.43) NR1H4HTTCA12CA1CA2
Hydrochloric Acid SCHEMBL9896106 0.97 HTT (0.43) NR1H4HTTCA12CA1CA2
SCHEMBL7896020 0.88 HDAC3 (0.54) HDAC8HDAC6KDM1AHDAC3HDAC1
SCHEMBL9895152 0.88 HDAC3 (0.54) HDAC8HDAC6KDM1AHDAC3HDAC1
SCHEMBL7898196 0.86 HDAC3 (0.54) HDAC8HDAC6KDM1AHDAC3HDAC1
SCHEMBL9895471 0.86 HDAC3 (0.54) HDAC8HDAC6KDM1AHDAC3HDAC1
SCHEMBL10072241 0.86 HTT (0.37) NR1H4HTTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US disclosed
WO-2010097586-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-09-02 WO 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 (2 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 NR1H4 119/4885HTT 4046/4885CA12 428/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 NR1H4 130/4885HTT 3548/4885CA12 536/4885

“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.