SCHEMBL21701181

SCHEMBL21701181

C=CCC1(C[C@@H](C(C)C)[C@@H](/C=C/c2ccccc2)c2ccccc2)C(=O)OC(C)(C)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PRKCA P17252 1/20 0.30

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
SCHEMBL21683252 1.00 MEN1 (0.32) MEN1KMT2ACYP1A2ALDH1A1CYP2C9
SCHEMBL21683253 1.00 MEN1 (0.32) MEN1KMT2ACYP1A2ALDH1A1CYP2C9
SCHEMBL21683265 0.75 CYP1A2 (0.34) CYP1A2ALDH1A1CYP2C9CYP2C19PRKCA
SCHEMBL21683261 0.75 CYP1A2 (0.34) CYP1A2ALDH1A1CYP2C9CYP2C19PRKCA
SCHEMBL23873752 0.69 ALDH1A1 (0.40) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL21701141 0.69 ALDH1A1 (0.40) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL16175044 0.62 ALDH1A1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL21701144 0.62 ALDH1A1 (0.44) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL1760765 0.58 CYP1A2 (0.52) MEN1KMT2ACYP1A2
SCHEMBL1760762 0.58 CYP1A2 (0.52) MEN1KMT2ACYP1A2

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-20210300928-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2021-09-30 US disclosed
WO-2020033567-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2020-02-13 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 (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-20210300928-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS AHR, HCCS, HMBS MEN1 3579/4885KMT2A 2658/4885CYP1A2 25/4885

“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.