SCHEMBL3500378

SCHEMBL3500378

COC(=O)Cc1ccc(OCc2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.52
RXRA P19793 9/20 0.52
NR1H3 Q13133 7/20 0.52
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR1 P03372 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
VDR P11473 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HIF1A Q16665 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL2801838 0.89 ALDH1A1 (0.52) RXRANPC1ALDH1A1RAB9AKMT2A
SCHEMBL3499100 0.88 NR1H2 (0.65) NR1H2RXRANR1H3ALOX5
SCHEMBL4417759 0.84 ALDH1A1 (0.48) RXRANPC1ALDH1A1RAB9AKMT2A
SCHEMBL4430140 0.84 NPC1 (0.52) RXRANPC1ALDH1A1RAB9AKMT2A
SCHEMBL1679004 0.80 NR1H2 (0.82) NR1H2RXRANR1H3NPC1ALDH1A1
SCHEMBL3995720 0.79 TSHR (0.50) NR1H2RXRANR1H3ALDH1A1KMT2A
SCHEMBL6295627 0.78 MAOB (0.61) RXRANPC1ALDH1A1RAB9AESR1
SCHEMBL3500927 0.78 MRGPRX4 (0.59) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3995767 0.77 NAMPT (0.47) NR1H2RXRANR1H3NPC1ALDH1A1
SCHEMBL4354325 0.77 MAOB (0.62) RXRANPC1ALDH1A1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 NR1H2 75/4885RXRA 275/4885NR1H3 77/4885

“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.