SCHEMBL21349972

SCHEMBL21349972

CC(CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.58
ALDH1A1 P00352 7/20 0.56
HPGD P15428 2/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
NPSR1 Q6W5P4 6/20 0.53
MAPT P10636 4/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 7/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
LMNA P02545 4/20 0.53
MITF O75030 4/20 0.53
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NTSR1 P30989 2/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL19020175 0.88 ALDH1A1 (0.57) CYP19A1ALDH1A1HPGDCA1CA2
SCHEMBL19020467 0.86 CYP19A1 (0.54) CYP19A1ALDH1A1HPGDCA1CA2
SCHEMBL21350200 0.83 CYP19A1 (0.51) CYP19A1ALDH1A1HPGDCA1CA2
SCHEMBL19020172 0.82 ALDH1A1 (0.51) CYP19A1ALDH1A1HPGDCA1CA2
SCHEMBL21350205 0.82 ALDH1A1 (0.51) CYP19A1ALDH1A1HPGDCA1CA2
SCHEMBL21350204 0.82 ALDH1A1 (0.51) CYP19A1ALDH1A1HPGDCA1CA2
SCHEMBL21350165 0.82 ALDH1A1 (0.51) CYP19A1ALDH1A1HPGDCA1CA2
SCHEMBL19020343 0.82 ALDH1A1 (0.51) CYP19A1ALDH1A1HPGDCA1CA2
SCHEMBL21350566 0.82 ALDH1A1 (0.51) CYP19A1ALDH1A1HPGDCA1CA2
SCHEMBL21350180 0.82 ALDH1A1 (0.51) CYP19A1ALDH1A1HPGDCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190276389-A1 SYNTHESIS OF ARYL CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY 2019-09-12 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 (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-20190276389-A1 SYNTHESIS OF ARYL CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS CUTA, TAS2R8, TRPA1 CYP19A1 850/4885ALDH1A1 1425/4885HPGD 408/4885

“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.