SCHEMBL4814865

SCHEMBL4814865

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
XBP1 P17861 2/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.33
PGR P06401 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL17363619 0.79 TRPA1 (0.36) ALDH1A1CYP1A2CYP3A4TSHRLMNA
SCHEMBL17363616 0.79 TRPA1 (0.36) ALDH1A1CYP1A2CYP3A4TSHRLMNA
SCHEMBL17363618 0.79 TRPA1 (0.36) ALDH1A1CYP1A2CYP3A4TSHRLMNA
SCHEMBL24164605 0.77 MTNR1A (0.37) ALDH1A1CYP1A2CYP3A4TSHRLMNA
SCHEMBL20347398 0.74 MTNR1A (0.39) ALDH1A1CYP1A2CYP3A4TSHRMAPT
SCHEMBL7736497 0.74 SIGMAR1 (0.47) MTNR1AMTNR1B
SCHEMBL4815873 0.74 SMN1; SMN2 (0.41) ALDH1A1CYP1A2CYP3A4TSHRLMNA
SCHEMBL3032149 0.72 AKT1 (0.35) ALDH1A1CYP3A4TSHRMAPTSMN1; SMN2
SCHEMBL7714815 0.72 TBXAS1 (0.47) ALDH1A1CYP1A2CYP3A4TSHRMAPT
SCHEMBL11158196 0.70 AKT1 (0.41) CYP1A2CYP3A4TSHRMAPTSMN1; SMN2

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 3 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

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 ALDH1A1 3904/4885CYP1A2 4044/4885CYP3A4 3164/4885

“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.