SCHEMBL9883158

SCHEMBL9883158

CC1(C)CCC[C@]2(C)C[C@](C)(O)CCC12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN1 P18031 2/20 0.32
TRPA1 O75762 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
IDO1 P14902 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
SCHEMBL15874511 1.00 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
Alcohol SCHEMBL5073410 0.93 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9609157 0.73 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8534893 0.73 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9609159 0.73 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9609158 0.72 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30885181 0.72 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9715210 0.72 GAA (0.36) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL113255 0.71 CYP3A4 (0.40) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL584183 0.71 CYP1A2 (0.35) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129925-A1 SHIP 1 MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-05-24 US disclosed
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction THE UNIVERSITY OF BRITISH COLUMBIA 2008-04-17 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-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction STAT1, STING1, IRF3 ALDH1A1 2237/4885CYP3A4 4744/4885CYP2C9 4641/4885
US-20120129925-A1 SHIP 1 MODULATORS PPP1R10, SACM1L, PPP1R1B ALDH1A1 1182/4885CYP3A4 2887/4885CYP2C9 3589/4885

“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.