SCHEMBL3500048

SCHEMBL3500048

O=C(O)Cc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 4/20 0.62
▸ LTA4H P09960 1/20 0.57
▸ EPHX2 P34913 1/20 0.57
▸ NR3C1 P04150 2/20 0.54
▸ CA2 P00918 1/20 0.50
▸ CAMK2A Q9UQM7 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ FFAR1 O14842 1/20 0.49
▸ CTBP2 P56545 1/20 0.49
▸ AKR1B1 P15121 1/20 0.48
▸ S1PR2 O95136 1/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL2999416 0.90 SRD5A2 (0.72) SRD5A2NR3C1CA2CAMK2AFFAR1
SCHEMBL21243832 0.90 SRD5A2 (0.72) SRD5A2NR3C1CA2CAMK2AFFAR1
SCHEMBL104746 0.88 CA2 (0.62) CA2CAMK2AFFAR1CTBP2AKR1B1
Hydrochloric Acid SCHEMBL2170212 0.86 CA2 (0.60) CA2CAMK2AFFAR1CTBP2AKR1B1
Methane SCHEMBL1421956 0.86 CA2 (0.60) CA2CAMK2AFFAR1CTBP2AKR1B1
Fluoride SCHEMBL11185179 0.86 CA2 (0.60) CA2CAMK2AFFAR1CTBP2AKR1B1
SCHEMBL11596764 0.85 NR4A2 (0.54) LTA4HNR4A2FFAR1LMNA
SCHEMBL1145770 0.84 SRD5A2 (0.83) SRD5A2LTA4HNR3C1FFAR1AKR1B1
SCHEMBL3500162 0.84 NR4A2 (0.71) CA2NR4A2FFAR1
Hydrazine SCHEMBL18601422 0.84 CA2 (0.58) CA2CAMK2AFFAR1CTBP2AKR1B1

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-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
EP-0946495-B1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2002-07-24 — — EP disclosed
US-6353128-B1 FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK. ELI LILLY AND COMPANY 2002-03-05 — — US disclosed
EP-0946495-A4 PHENYL ACETAMIDES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2000-04-12 — — EP disclosed
EP-0946495-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-10-06 — — EP disclosed
WO-1998024756-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 — — 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 SRD5A2 1140/4885LTA4H 1788/4885EPHX2 2970/4885

“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.

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