SCHEMBL17776491

SCHEMBL17776491

CC(=O)C1(O)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 1.00
CYP17A1 P05093 5/20 0.73
ALDH1A1 P00352 1/20 0.70
CYP2C9 P11712 1/20 0.70
HIF1A Q16665 1/20 0.70
G6PD P11413 4/20 0.61
LMNA P02545 3/20 0.61
SERPINA6 P08185 3/20 0.61
MEN1 O00255 1/20 0.61
GUSB P08236 1/20 0.61
CYP3A4 P08684 1/20 0.61
PMP22 Q01453 1/20 0.61
KMT2A Q03164 1/20 0.61
GPBAR1 Q8TDU6 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ESR1 P03372 1/20 0.58
AR P10275 1/20 0.58
ESR2 Q92731 1/20 0.58

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
SCHEMBL138937 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL142941 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL27808104 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL658688 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL735471 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL18373712 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL20457510 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL27633183 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
Sulfuric Acid SCHEMBL1576876 0.96 SHBG (0.91) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL31086698 0.92 SHBG (0.85) SHBGCYP17A1ALDH1A1CYP2C9HIF1A

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-10040816-B2 Antagonists of CB1 receptor INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2018-08-07 US disclosed
US-10040816-B2 Antagonists of CB1 receptor INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2018-08-07 US disclosed
US-20160145294-A1 Antagonists of CB1 Receptor INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-05-26 US disclosed
US-20160145294-A1 Antagonists of CB1 Receptor INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-05-26 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-10040816-B2 Antagonists of CB1 receptor CNR2, CNR1, GPR18 SHBG 593/4885CYP17A1 1317/4885ALDH1A1 2761/4885
US-20160145294-A1 Antagonists of CB1 Receptor CNR2, CNR1, GPR18 SHBG 593/4885CYP17A1 1317/4885ALDH1A1 2761/4885

“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.