SCHEMBL4815823

SCHEMBL4815823

Cc1cc(C)cc(O[Y])c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
ACHE P22303 3/20 0.35
NPSR1 Q6W5P4 1/20 0.33
TPMT P51580 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TP53 P04637 1/20 0.31
ALOX15 P16050 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
SCHEMBL458268 0.73 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL145855 0.71 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4MAPK1TDP1
Phosphine SCHEMBL22361930 0.71 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL29378528 0.71 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL13317292 0.71 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL12378007 0.71 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL5291180 0.71 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL26115 0.71
SCHEMBL341533 0.71 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL14449443 0.69 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4MAPK1TDP1

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 5 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-1337536-A1 CATIONIC GROUP-3 CATALYST SYSTEM ExxonMobil Chemical Patents Inc. (US) 2003-08-27 EP disclosed
WO-2002032909-A1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-04-25 WO 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 3904/4885TSHR 3172/4885CYP3A4 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.