SCHEMBL9607567

SCHEMBL9607567

CC(C)C1(C)CCC(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.32
IDO1 P14902 2/20 0.31
LMNA P02545 3/20 0.31
PIK3CD O00329 1/20 0.31
CYP2C9 P11712 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CES2 O00748 1/20 0.30
GMNN O75496 1/20 0.30
TDP2 O95551 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
HSPD1 P10809 1/20 0.30
THRB P10828 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
SCHEMBL14291326 0.86 SIRT2 (0.37) TSHRPOLBLMNA
SCHEMBL12679288 0.76 TSHR (0.32) TSHRPOLBLMNA
SCHEMBL10304537 0.74 SIRT2 (0.32)
SCHEMBL92282 0.72
SCHEMBL21944471 0.72
SCHEMBL17771193 0.71
SCHEMBL13900140 0.71 PRKCA (0.32)
SCHEMBL12355562 0.70 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL15477335 0.70 PIK3CD (0.34) PIK3CD
SCHEMBL5919629 0.69 PRKCA (0.33) TSHRKDM4EALDH1A1

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-3944679-A Process for imparting a coumarin-like aroma and flavor to tobacco, foods and drinks THE JAPAN TOBACCO & SALT PUBLIC CORPORATION (JA) 1976-03-16 US claimed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-7300948-B2 Alkynyl compounds as non nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-27 US disclosed
US-20070066579-A1 5-androsten-3beta-ol steroid intermediates and processs for their preparation WHITE MICHAEL J 2007-03-22 US disclosed
US-3944679-A Process for imparting a coumarin-like aroma and flavor to tobacco, foods and drinks THE JAPAN TOBACCO & SALT PUBLIC CORPORATION (JA) 1976-03-16 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-20070066579-A1 5-androsten-3beta-ol steroid intermediates and processs for their preparation CYP17A1, NR5A1, HSD3B2 TSHR 825/4885POLB 1393/4885IDO1 3070/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH TSHR 768/4885POLB 2185/4885IDO1 1047/4885

“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.