SCHEMBL10454568

SCHEMBL10454568

OCCOCC#Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.48
▸ HTR2C P28335 5/20 0.48
▸ HTR2B P41595 5/20 0.48
▸ SIGMAR1 Q99720 5/20 0.48
▸ DRD2 P14416 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CA12 O43570 1/20 0.41

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
SCHEMBL1276464 0.83 CYP1A2 (0.56) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL5243364 0.76 NPSR1 (0.53) HTR2AHTR2CHTR2BSIGMAR1ALDH1A1
SCHEMBL28548814 0.75 CYP1A2 (0.52) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL13259162 0.74 KDM4E (0.51) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL19359277 0.74 MMP2 (0.61) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL12267719 0.74 NPSR1 (0.47) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL15432902 0.74 ACACB (0.43) ALDH1A1LMNAAPPHTT
SCHEMBL5808117 0.73 CYP1A2 (0.54) HTR2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9638565 0.72 CYP1A2 (0.52) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL487492 0.72 CYP1A2 (0.58) HTR2AALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 — — US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 — — US disclosed
EP-0111105-B1 UNSATURATED AROMATIC AMIDES AS PESTICIDES THE WELLCOME FOUNDATION LIMITED (GB) 1990-12-05 — — EP disclosed
US-4931469-A APPLYING UNSATURATED PHENYL AMIDES; FOR ACARINA BURROUGHS WELLCOME CO. (US) 1990-06-05 — — US disclosed
US-4855086-A MITICIDES, INSECTICIDES BURROUGHS WELLCOME CO. (US) 1989-08-08 — — US disclosed
EP-0111105-A2 Unsaturated aromatic amides as pesticides THE WELLCOME FOUNDATION LIMITED (GB) 1984-06-20 — — 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-20080114044-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD HTR2A 2092/4885HTR2C 2772/4885HTR2B 3278/4885

“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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