SCHEMBL2938495

SCHEMBL2938495

CCCCC1=Cc2ccccc2C1OCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL29213166 0.77 BCHE (0.35) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL815618 0.77 BCHE (0.35) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL7932084 0.76 CYP3A4 (0.35) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL2943498 0.76 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
Fluoride Ion SCHEMBL1131501 0.76 BCHE (0.34) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL11590486 0.76 BCHE (0.34) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL18242642 0.76 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL6056009 0.76 BCHE (0.34) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL10644406 0.76 TSHR (0.36) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL813274 0.76 BCHE (0.34) CYP3A4CYP2D6CYP2C9TSHRCYP2C19

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 RET 2779/4885CYP3A4 181/4885CYP2D6 419/4885
US-20050261513-A1 Process for producing indenol esters or ethers NISCH, SI, SULT2A1 RET 2777/4885CYP3A4 196/4885CYP2D6 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.