SCHEMBL1637994

SCHEMBL1637994

C=C(c1cccc(-c2cccc(C(C)(C)C)c2OCc2ccccc2)c1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.40
GRM5 P41594 1/20 0.39
CYP2C9 P11712 2/20 0.37
FEN1 P39748 1/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ALOX5AP P20292 1/20 0.35
CYP3A4 P08684 1/20 0.35
FFAR1 O14842 1/20 0.35
HPGD P15428 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
PTGER4 P35408 2/20 0.33
PTGER3 P43115 2/20 0.33
PTGER2 P43116 2/20 0.33
MAOB P27338 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
SCHEMBL1636908 0.88 PTGER1 (0.45) PTGER1GRM5CYP2C9RXRARXRB
SCHEMBL12646951 0.86 CYP1A2 (0.36) GRM5CYP2C9RXRARXRBRXRG
SCHEMBL1636931 0.82 FFAR1 (0.42) PTGER1GRM5CYP2C9FEN1RXRA
SCHEMBL1639242 0.81 PTGER1 (0.44) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL1637811 0.80 MAOB (0.54) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL1643430 0.79 FEN1 (0.43) PTGER1GRM5FEN1RXRARXRB
SCHEMBL1638928 0.77 PTGER1 (0.44) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL1637564 0.76 ADORA3 (0.44) PTGER1GRM5RXRARXRBRXRG
SCHEMBL1638313 0.76 LMNA (0.39) PTGER1GRM5FEN1ALOX5APFFAR1
SCHEMBL12646955 0.74 KMT2A (0.40) CYP2C9RXRARXRBRXRGHPGD

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
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 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-20110098429-A1 Catalyst Compounds and Use Thereof ALOX12, THEM6, ALOX15 PTGER1 2069/4885GRM5 1634/4885CYP2C9 3268/4885

“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.