SCHEMBL3420563

SCHEMBL3420563

O=C(O)c1cc(NCCc2ccc(C(F)(F)F)cc2)cc(Cl)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.47
▸ RORC P51449 2/20 0.46
▸ AKR1C2 P52895 2/20 0.44
▸ AKR1C1 Q04828 2/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ TRPA1 O75762 1/20 0.43
▸ P2RX1 P51575 1/20 0.43
▸ P2RX4 Q99571 1/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ TMPRSS4 Q9NRS4 1/20 0.43
▸ PLAAT3 P53816 1/20 0.43
▸ PLAAT5 Q96KN8 1/20 0.43
▸ PLAAT2 Q9NWW9 1/20 0.43
▸ PLAAT4 Q9UL19 1/20 0.43
▸ MRGPRX4 Q96LA9 2/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ASPH Q12797 1/20 0.42
▸ RIOX2 Q8IUF8 1/20 0.42
▸ KDM8 Q8N371 1/20 0.42

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
SCHEMBL608498 0.81 KDM4C (0.53) CNR1RORCFFAR1P2RX1P2RX4
SCHEMBL4116154 0.80 KDM4C (0.52) CNR1RORCFFAR1P2RX1P2RX4
SCHEMBL14346892 0.78 FFAR1 (0.49) CNR1RORCAKR1C2FFAR1TRPA1
Sulfuric Acid SCHEMBL1170031 0.77 PPARA (0.49) CNR1RORCFFAR1P2RX1P2RX4
SCHEMBL3420560 0.75 AKR1C2 (0.47) AKR1C2AKR1C1P2RX1P2RX4P2RX7
SCHEMBL609853 0.74 KDM4C (0.51) CNR1FFAR1P2RX1P2RX4P2RX7
SCHEMBL4833538 0.73 AKR1C2 (0.74) AKR1C2AKR1C1KDM4E
SCHEMBL28036436 0.73 FFAR1 (0.59) CNR1RORCFFAR1PLAAT3PLAAT5
SCHEMBL609392 0.73 KDM4E (0.53) CNR1RORCAKR1C2FFAR1PLAAT3
SCHEMBL27823112 0.73 RXFP1 (0.60) TRPA1PLAAT3PLAAT5PLAAT2PLAAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 — — 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-20100216749-A1 Combination Therapy for Neuroprotection MPO, BDNF, NLN CNR1 3930/4885RORC 3269/4885AKR1C2 2738/4885

“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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