SCHEMBL2943498

SCHEMBL2943498

CCCCCC1=Cc2ccccc2C1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PTGS2 P35354 4/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5175325 0.99 TSHR (0.47) CYP3A4TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL2934277 0.84 POLB (0.44) CYP3A4TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL2938495 0.76 RET (0.36) CYP3A4TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL29029956 0.75 CYP3A4 (0.36) CYP3A4TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL29274353 0.74 CYP2D6 (0.43) CYP3A4TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL2937446 0.73 POLB (0.47) CYP3A4TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL6057110 0.71 KDM4E (0.41) CYP3A4TSHRCYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7636246 0.71 CYP2D6 (0.40) CYP3A4TSHRCYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7929746 0.70 CYP2D6 (0.41) CYP3A4TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL7929753 0.70 CYP2D6 (0.41) CYP3A4TSHRCYP2D6CYP2C9CYP2C19

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
EP-1756027-B1 PROCESS FOR PRODUCING INDENOL ESTERS OR ETHERS FIRMENICH & CIE (CH) 2010-09-22 EP disclosed
US-7250528-B2 Process for producing indenol esters or ethers FIRMENICH SA (CH) 2007-07-31 US disclosed
US-20070032402-A1 Process for producing indenol esters or ethers FIRMENICH SA (CH) 2007-02-08 US disclosed
US-20050261513-A1 Process for producing indenol esters or ethers FIRMENICH SA (CH) 2005-11-24 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-20070032402-A1 Process for producing indenol esters or ethers NISCH, SULT2A1, SI CYP3A4 181/4885TSHR 3798/4885CYP2D6 419/4885
US-20050261513-A1 Process for producing indenol esters or ethers NISCH, SI, SULT2A1 CYP3A4 196/4885TSHR 3868/4885CYP2D6 482/4885

“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.