SCHEMBL3633062

SCHEMBL3633062

CC(C)Cc1cc(CO)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
TTR P02766 1/20 0.40
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
FFAR4 Q5NUL3 1/20 0.38
BCL2L1 Q07817 2/20 0.37
MCL1 Q07820 1/20 0.37
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
EGFR P00533 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
KMT2A Q03164 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 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
SCHEMBL14551457 0.77 ALOX15 (0.47) TTRGABRA1GABRB2
SCHEMBL3628979 0.76 PPARA (0.46) PPARGPPARA
SCHEMBL6566599 0.71 FPR2 (0.53) TP53KMT2A
SCHEMBL6564613 0.70 HIF1A (0.50) TP53KMT2A
SCHEMBL6566619 0.70 KMT2A (0.51) KMT2A
SCHEMBL118224 0.69 LTA4H (0.57) TTRPPARGPPARA
SCHEMBL9058136 0.69 EDNRB (0.56) PPARGPPARA
SCHEMBL3902747 0.68 FOS (0.47) TTRGABRA1GABRB2
SCHEMBL11404610 0.67 GABRA1 (0.58) TTRGABRA1GABRB2
SCHEMBL10088547 0.65 GABRA1 (0.47) GABRA1GABRB2ADRB3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 CHRM2 1179/4885CHRM1 1027/4885TTR 3557/4885

“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.