SCHEMBL22443364

SCHEMBL22443364

CC1(C)CCC[C@H]2CC(=O)CC[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 4/20 0.39
CYP19A1 P11511 9/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
OR51E2 Q9H255 1/20 0.35
SRD5A2 P31213 2/20 0.33
MBOAT4 Q96T53 1/20 0.31
CYP3A4 P08684 2/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
SERPINA6 P08185 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL22443225 1.00 SHBG (0.39) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL18740940 0.89 SHBG (0.41) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL22443205 0.85 SHBG (0.36) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL14879774 0.85 ALDH1A1 (0.33) SHBGCYP19A1MBOAT4CYP3A4ALDH1A1
SCHEMBL4231475 0.79 CYP19A1 (0.30) CYP19A1
SCHEMBL9314092 0.76 CYP19A1 (0.38) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL11456115 0.74 SHBG (0.42) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL14873915 0.74 CYP19A1 (0.35) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL18741025 0.73 SHBG (0.38) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL24831121 0.71 ENTPD5 (0.33) HSD17B10

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-11390575-B2 Isomerisation reaction FIRMENICH SA (CH) 2022-07-19 US disclosed
US-20220041536-A1 ISOMERISATION REACTION FIRMENICH SA (CH) 2022-02-10 US disclosed
EP-3837235-A1 ISOMERISATION REACTION Firmenich SA (CH) 2021-06-23 EP disclosed
CN-112805266-A Isomerization reaction 弗门尼舍有限公司 2021-05-14 CN disclosed
WO-2020187877-A1 ISOMERISATION REACTION FIRMENICH SA (CH) 2020-09-24 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-11390575-B2 Isomerisation reaction CYP3A4, CYP4A11, UGT1A10 SHBG 1465/4885CYP19A1 91/4885AKR1B10 4/4885
US-20220041536-A1 ISOMERISATION REACTION CYP3A4, CYP4A11, UGT1A10 SHBG 1465/4885CYP19A1 91/4885AKR1B10 4/4885

“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.