SCHEMBL3397280

SCHEMBL3397280

CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.56
EPHX1 P07099 3/20 0.52
ALDH1A1 P00352 8/20 0.50
NPSR1 Q6W5P4 3/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL25559590 1.00 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL25560369 1.00 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL4753036 1.00 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL79842 1.00 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL12449331 1.00 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL29018706 1.00 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL14580755 1.00 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL14565716 1.00 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL8045220 0.99 CYP19A1 (0.55) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL29748715 0.95 CYP19A1 (0.52) CYP19A1EPHX1ALDH1A1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140186272-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2014-07-03 US disclosed
US-20140186272-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2014-07-03 US disclosed
US-8426643-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2013-04-23 US disclosed
US-8426643-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2013-04-23 US disclosed
US-20100105682-A1 CYCLOPROPYL-PIPERAZINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-04-29 US disclosed
US-20100076080-A1 Synthesis of Cyclohexane Derivatives Useful as Sensates in Consumer Products THE PROCTER & GAMBLE COMPANY 2010-03-25 US disclosed
US-20100076080-A1 Synthesis of Cyclohexane Derivatives Useful as Sensates in Consumer Products THE PROCTER & GAMBLE COMPANY 2010-03-25 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 (3 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-20140186272-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS NISCH, TRPM4, TRPM8 CYP19A1 832/4885EPHX1 528/4885ALDH1A1 545/4885
US-20100105682-A1 CYCLOPROPYL-PIPERAZINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1B, CACNA1F CYP19A1 3685/4885EPHX1 1932/4885ALDH1A1 2138/4885
US-20100076080-A1 Synthesis of Cyclohexane Derivatives Useful as Sensates in Consumer Products NISCH, TRPM4, TRPM8 CYP19A1 832/4885EPHX1 528/4885ALDH1A1 545/4885

“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.