SCHEMBL2733009

SCHEMBL2733009

Cc1ccc(SC(C)(C)C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34
NPC1 O15118 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7209407 0.80 TSHR (0.48) ARKDM4EHSD17B10SLC6A4ALDH1A1
SCHEMBL9331677 0.80 ESR1 (0.52) ARKDM4EHSD17B10ALDH1A1TDP1
SCHEMBL12828098 0.79 SMN1; SMN2 (0.51) ARKDM4EALDH1A1TDP1TSHR
SCHEMBL14805708 0.76 AR (0.63) ARKDM4ETSHRMAPTCYP1A2
SCHEMBL29960 0.74 SLC6A4 (0.35) ARKDM4EHSD17B10SLC6A4
SCHEMBL4907753 0.74 ALDH1A1 (0.43) HSD17B10ALDH1A1TDP1TSHRMAPT
SCHEMBL30832958 0.74 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPTCYP1A2
SCHEMBL47860 0.74 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPTCYP1A2
SCHEMBL333951 0.72 SLC6A4 (0.47) ARKDM4EHSD17B10SLC6A4ALDH1A1
SCHEMBL20345294 0.72 ALDH1A1 (0.53) ALDH1A1TDP1TSHRMAPTCYP1A2

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-10927076-B2 HSP90B N-terminal isoform-selective inhibitors UNIVERSITY OF KANSAS (US) 2021-02-23 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 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-10927076-B2 HSP90B N-terminal isoform-selective inhibitors HSP90AB1, HSP90AB2P, HSP90B1 AR 2291/4885KDM4E 3915/4885HSD17B10 298/4885

“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.