SCHEMBL21701145

SCHEMBL21701145

COc1ccc(/C=C/C(OC(C)=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
F3 P13726 2/20 0.50
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
GSK3B P49841 2/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47

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
SCHEMBL23873780 0.89 MAOB (0.56) CYP3A4MAPTCYP2C9ATMMAOB
SCHEMBL27100252 0.84 CYP3A4 (0.46) CYP3A4ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL21701157 0.83 CYP1A2 (0.43) ALDH1A1MAPTHDAC3HDAC1HDAC2
SCHEMBL21701152 0.81 ABCB1 (0.40) ALDH1A1MAPTCYP2C9TUBB4ATUBB
SCHEMBL21701156 0.81 MAOB (0.41) ALDH1A1MAPTTSHRRELAMAOB
SCHEMBL27713559 0.80 MAPT (0.47) CYP3A4ALDH1A1MAPTCYP2C9ALOX15
SCHEMBL27713591 0.80 MAPT (0.50) CYP3A4ALDH1A1MAPTCYP2C9ALOX15
SCHEMBL24667200 0.80 MAPT (0.47) CYP3A4ALDH1A1MAPTCYP2C9ALOX15
SCHEMBL29034768 0.80 MAPT (0.44) CYP3A4ALDH1A1MAPTALOX15LMNA
SCHEMBL1941434 0.80 CYP1A2 (0.53) CYP3A4ALDH1A1MAPTCYP2C9CYP2C19

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
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
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 (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-20210300928-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS AHR, HCCS, HMBS CYP3A4 37/4885ALDH1A1 529/4885MAPT 3140/4885
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs AHR, HCCS, HMBS CYP3A4 37/4885ALDH1A1 529/4885MAPT 3140/4885

“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.