SCHEMBL4815873

SCHEMBL4815873

[CH2]C=C(c1ccccc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
XBP1 P17861 1/20 0.41
ATM Q13315 1/20 0.41
AKT1 P31749 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
PTGS1 P23219 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
PTGS2 P35354 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
ELANE P08246 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL29028319 0.77 SMN1; SMN2 (0.36) SMN1; SMN2MAPTLMNANPSR1XBP1
SCHEMBL2835097 0.76 AKR1C1 (0.45) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL5960470 0.76 AKR1C1 (0.45) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL17363618 0.74 TRPA1 (0.36) SMN1; SMN2MAPTLMNANPSR1XBP1
SCHEMBL17363619 0.74 TRPA1 (0.36) SMN1; SMN2MAPTLMNANPSR1XBP1
SCHEMBL22423740 0.74 ALDH1A1 (0.40) SMN1; SMN2MAPTLMNANPSR1XBP1
SCHEMBL17363616 0.74 TRPA1 (0.36) SMN1; SMN2MAPTLMNANPSR1XBP1
SCHEMBL20556813 0.74 SMN1; SMN2 (0.42) SMN1; SMN2MAPTLMNANPSR1XBP1
SCHEMBL4814865 0.74 ALDH1A1 (0.35) SMN1; SMN2MAPTLMNANPSR1XBP1
SCHEMBL24164605 0.72 MTNR1A (0.37) SMN1; SMN2MAPTLMNANPSR1XBP1

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-1337536-B1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEM PATENTS INC (US) 2012-09-12 EP disclosed
US-7390861-B2 Cationic group-3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-06-24 US disclosed
US-20040033891-A1 Cationic group-3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. 2004-02-19 US disclosed
EP-0698010-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-28 EP 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 (1 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-20040033891-A1 Cationic group-3 catalyst system COG3, ORC3, LIG3 SMN1; SMN2 3143/4885MAPT 3039/4885LMNA 1589/4885

“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.