SCHEMBL2020761

SCHEMBL2020761

Cc1cccc(C)c1-c1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.60
RXRA P19793 2/20 0.58
RXRB P28702 2/20 0.58
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
NR1H4 Q96RI1 2/20 0.52
TYMS P04818 1/20 0.51
KEAP1 Q14145 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
FFAR1 O14842 1/20 0.50
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DHODH Q02127 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA6 P23280 1/20 0.48

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
SCHEMBL23581248 0.90 NR1H4 (0.58) KMORXRARXRBAKR1C3AKR1C2
SCHEMBL5423700 0.89 KMO (0.56) KMORXRARXRBAKR1C3AKR1C2
SCHEMBL28298835 0.87 KMO (0.55) KMORXRARXRBAKR1C3AKR1C2
SCHEMBL28717928 0.86 DHODH (0.57) KMORXRARXRBTYMSFFAR1
SCHEMBL10029693 0.86 HSD17B1 (0.54) KMOLMNAFFAR1NPC1SMN1; SMN2
SCHEMBL11227165 0.86 KMO (0.72) KMORXRARXRBKEAP1LMNA
SCHEMBL12577690 0.85 BRD4 (0.59) FFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4262253 0.85 PARP1 (0.60) FFAR1TSHRDHODH
SCHEMBL5428822 0.83 RAB9A (0.51) KMORXRARXRBAKR1C3AKR1C2
SCHEMBL15398033 0.83 KMO (0.50) KMORXRARXRBAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306131-B1 Cross-coupling process using a catalyst comprising a cyclic nitrogen ligand SUMITOMO CHEMICAL CO (JP) 2016-12-07 EP disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
EP-2011788-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2009-01-07 EP disclosed
US-20060111593-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2006-05-25 US disclosed
US-20030162950-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-28 US disclosed
EP-1306131-A2 Cross-Coupling catalyst comprising a cyclic nitrogen ligand and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-02 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 (3 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-20030162950-A1 Coupling catalyst and process using the same NOD1, PYM1, C9 KMO 401/4885RXRA 1603/4885RXRB 1579/4885
US-20090186909-A1 Oxadiazolidinedione Compound GPR119, GPR39, GPR65 KMO 2211/4885RXRA 1327/4885RXRB 883/4885
US-20060111593-A1 Coupling catalyst and process using the same RPL22, C9, RBM22 KMO 663/4885RXRA 1333/4885RXRB 1433/4885

“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.