SCHEMBL4911952

SCHEMBL4911952

CCCOCCCCCCC=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
FAAH O00519 2/20 0.52
TRPV1 Q8NER1 2/20 0.52
ALDH1A1 P00352 1/20 0.42
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.39
HIF1A Q16665 1/20 0.39
CES2 O00748 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
SCHEMBL25231629 1.00 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL195667 1.00 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL14966102 1.00 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL25336996 1.00 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL2413045 0.98 TSHR (0.54) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL8386491 0.91 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1
SCHEMBL15923909 0.91 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1
SCHEMBL678273 0.91 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1
SCHEMBL19040831 0.91 TSHR (0.65) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL10584770 0.91 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1

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
CN-115806503-B Selective histone deacetylase inhibitor and preparation method and application thereof 中国海洋大学 2025-03-07 CN disclosed
CN-115806503-A Selective histone deacetylase inhibitor as well as preparation method and application thereof 中国海洋大学 2023-03-17 CN disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 TSHR 1671/4885FAAH 3283/4885TRPV1 284/4885

“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.