SCHEMBL10000314

SCHEMBL10000314

CC(C)C(C)/C=C/C(C)[C@H]1CCC2C3=CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.78
CYP3A4 P08684 1/20 0.68
DHCR24 Q15392 8/20 0.67
ALDH1A1 P00352 3/20 0.62
ALOX15 P16050 3/20 0.62
MAPT P10636 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
USP2 O75604 1/20 0.62
NR1I2 O75469 1/20 0.46
PGR P06401 1/20 0.46
VDR P11473 1/20 0.44
LMNA P02545 2/20 0.43
AR P10275 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL28364466 1.00 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1ALOX15
SCHEMBL14419156 1.00 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1ALOX15
SCHEMBL29592490 1.00 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1ALOX15
SCHEMBL1703700 1.00 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1ALOX15
SCHEMBL10149106 1.00 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1ALOX15
SCHEMBL6900716 1.00 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1ALOX15
SCHEMBL665862 1.00 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1ALOX15
SCHEMBL21748185 1.00 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1ALOX15
SCHEMBL22150349 1.00 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1ALOX15
SCHEMBL18109189 1.00 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046265-A1 USE OF ERGOSTA-7,22-DIEN-3beta-OL IN THE TREATMENT OF CANCER VITA GREEN BIOTECHNOLOGY CO. LIMITED (HK) 2012-02-23 US disclosed
US-20120046265-A1 USE OF ERGOSTA-7,22-DIEN-3beta-OL IN THE TREATMENT OF CANCER VITA GREEN BIOTECHNOLOGY CO. LIMITED (HK) 2012-02-23 US disclosed
US-20090247497-A1 FORMULATION AND USE OF ERGOSTA-7,22-DIEN-3BETA-OL VITA GREEN BIOTECHNOLOGY CO. LIMITED (HK) 2009-10-01 US disclosed
US-20090247497-A1 FORMULATION AND USE OF ERGOSTA-7,22-DIEN-3BETA-OL VITA GREEN BIOTECHNOLOGY CO. LIMITED (HK) 2009-10-01 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 (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-20090247497-A1 FORMULATION AND USE OF ERGOSTA-7,22-DIEN-3BETA-OL ERG28, HSD3B2, CYP51A1 TRPV1 4679/4885CYP3A4 406/4885DHCR24 324/4885
US-20120046265-A1 USE OF ERGOSTA-7,22-DIEN-3beta-OL IN THE TREATMENT OF CANCER ERG28, HSD3B2, ERG TRPV1 4875/4885CYP3A4 926/4885DHCR24 209/4885

“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.