SCHEMBL17735802

SCHEMBL17735802

CCC/C=C/C=C/CCCCCCCCc1cc(O)c(C)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBS P35520 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PTGS2 P35354 3/20 0.42
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ INHA P05111 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL28622928 0.94 CBS (0.54) CBSNPC1HPGDMAPK1HTT
SCHEMBL29186837 0.91 CBS (0.51) CBSNPC1HPGDMAPK1HTT
SCHEMBL9475529 0.91 CBS (0.51) CBSNPC1HPGDMAPK1HTT
SCHEMBL9472748 0.87 CBS (0.54) CBSNPC1HPGDMAPK1HTT
SCHEMBL20985452 0.87 CBS (0.54) CBSNPC1HPGDMAPK1HTT
SCHEMBL29911492 0.87 CBS (0.54) CBSNPC1HPGDMAPK1HTT
SCHEMBL9472734 0.87 CBS (0.54) CBSNPC1HPGDMAPK1HTT
SCHEMBL17735801 0.84 CBS (0.69) CBSPTGS2PTPN2PTPN1PTPN11
SCHEMBL31268006 0.81 CBS (0.51) CBSHPGDPTGS2CYP3A4PPARG
SCHEMBL8588536 0.79 PTGS2 (0.64) NPC1HPGDMAPK1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250090554-A1 A METHOD OF TREATING DEPRESSION BY IMMUNE MODULATION MYND LIFE SCIENCES INC (CA) 2025-03-20 — — US disclosed
US-20160130421-A1 NOVEL CARDANOL-BASED ORGANIC VULCANIZING AGENT, METHOD FOR PREPARING THE SAME, AND RUBBER COMPOUND COMPOSITION FOR TIRES USING THE SAME M&B GREENUS CO., LTD. (KR) 2016-05-12 — — US disclosed
US-20160130421-A1 NOVEL CARDANOL-BASED ORGANIC VULCANIZING AGENT, METHOD FOR PREPARING THE SAME, AND RUBBER COMPOUND COMPOSITION FOR TIRES USING THE SAME M&B GREENUS CO., LTD. (KR) 2016-05-12 — — 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-20160130421-A1 NOVEL CARDANOL-BASED ORGANIC VULCANIZING AGENT, METHOD FOR PREPARING THE SAME, AND RUBBER COMPOUND COMPOSITION FOR TIRES USING THE SAME TES, TST, TRAFD1 CBS 868/4885NPC1 2133/4885HPGD 4102/4885

“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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