SCHEMBL6284974

SCHEMBL6284974

CC(C)[C@@H]1CC[C@@]2(C)C(O)CC[C@H](C)[C@@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.43
LMNA P02545 3/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SERPINA6 P08185 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 4/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL3861664 0.79 SHBG (0.47) SHBGLMNAGPBAR1CYP1A2CYP3A4
SCHEMBL8064303 0.78
SCHEMBL8592422 0.73 SHBG (0.50) SHBGLMNAGPBAR1CYP1A2CYP3A4
SCHEMBL20008783 0.72 SHBG (0.42) SHBGLMNAGPBAR1CYP1A2CYP3A4
SCHEMBL3890863 0.70
SCHEMBL3890861 0.70
SCHEMBL3856204 0.69 SHBG (0.41) SHBGLMNAGPBAR1CYP1A2CYP3A4
SCHEMBL29604207 0.69 CDK5 (0.32)
SCHEMBL333262 0.69 CDK5 (0.32)
SCHEMBL29637260 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005087181-A2 DRY DEODORANT CONTAINING A SESQUITERPENE ALCOHOL AND ZINC OXIDE COLGATE-PALMOLIVE COMPANY (US) 2005-09-22 WO claimed
US-20050191257-A1 Dry deodorant containing a sesquiterpene alcohol and zinc oxide COLGATE-PALMOLIVE COMPANY 2005-09-01 US claimed
EP-3005884-B1 TASTE MODULATOR AND METHOD OF USE THEREOF INT FLAVORS & FRAGRANCES INC (US) 2017-04-19 EP disclosed
EP-3005884-A1 TASTE MODULATOR AND METHOD OF USE THEREOF International Flavors & Fragrances Inc. (US) 2016-04-13 EP disclosed
US-20150104398-A1 TASTE MODULATOR AND METHOD OF USE THEREOF INTERNATIONAL FLAVORS & FRAGRANCES INC. 2015-04-16 US disclosed
JP-2005306817-A SKIN COSMETIC AND ORAL BLEACHING AGENT KANEBO COSMETICS INC 2005-11-04 JP disclosed
WO-2005087181-A2 DRY DEODORANT CONTAINING A SESQUITERPENE ALCOHOL AND ZINC OXIDE COLGATE-PALMOLIVE COMPANY (US) 2005-09-22 WO disclosed
US-20050191257-A1 Dry deodorant containing a sesquiterpene alcohol and zinc oxide COLGATE-PALMOLIVE COMPANY 2005-09-01 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-20050191257-A1 Dry deodorant containing a sesquiterpene alcohol and zinc oxide FDFT1, SLC30A6, SLC30A7 SHBG 360/4885LMNA 3909/4885GPBAR1 2803/4885

“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.