SCHEMBL7433180

SCHEMBL7433180

C=CCC(CC)(CC)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
DGAT1 O75907 1/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 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
SCHEMBL1361079 0.89 CYP2C19 (0.39) CYP2C19POLBTDP1ALDH1A1LMNA
SCHEMBL7445820 0.89 POLB (0.35) CYP2C19POLBTDP1ALDH1A1LMNA
SCHEMBL354285 0.85 CYP2C19 (0.37) CYP2C19POLBTDP1ALDH1A1LMNA
SCHEMBL16150101 0.82 CYP4F2 (0.50) CYP2C19ALDH1A1LMNACYP4F2CYP4A11
SCHEMBL5879371 0.80 ZDHHC20 (0.40) CYP2C19POLBLMNAMAPTCYP4F2
SCHEMBL2477744 0.79 CYP4F2 (0.39) POLBTDP1ALDH1A1CYP4F2CYP4A11
SCHEMBL28571904 0.79
SCHEMBL631049 0.78 CYP2C19 (0.38) CYP2C19POLBTDP1ALDH1A1LMNA
SCHEMBL2204111 0.78 CYP4F2 (0.39) POLBALDH1A1CYP4F2CYP4A11DGAT1
SCHEMBL5000217 0.78 CYP4F2 (0.39) POLBALDH1A1CYP4F2CYP4A11DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544117-B2 5-hydroxytryptamine receptor 7 activity modulators and their method of use Temple University—Of the Commonwealth System of Higher Education (US) 2020-01-28 US disclosed
US-20170298037-A1 Novel 5-Hydroxytryptamine Receptor 7 Activity Modulators and Their Method of Use TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-19 US disclosed
US-20170298037-A1 Novel 5-Hydroxytryptamine Receptor 7 Activity Modulators and Their Method of Use TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-19 US disclosed
US-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US disclosed
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 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 (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-20170298037-A1 Novel 5-Hydroxytryptamine Receptor 7 Activity Modulators and Their Method of Use HTR7, HTR6, HTR5A CYP2C19 1119/4885POLB 4060/4885TDP1 2588/4885
US-10544117-B2 5-hydroxytryptamine receptor 7 activity modulators and their method of use HTR7, HTR5A, HTR6 CYP2C19 460/4885POLB 3784/4885TDP1 2985/4885

“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.