SCHEMBL13964488

SCHEMBL13964488

COc1ccc(C(Cl)(c2ccc(OC)cc2)c2ccc(OCCCCCC(=O)ON3OCCCC3=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 5/20 0.36
▸ POLB P06746 4/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ FKBP1A P62942 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL13939445 0.84 ALOX12 (0.39) GAASMN1; SMN2HPGDMAPTPOLB
SCHEMBL13964305 0.74 ALOX12 (0.40) GAASMN1; SMN2HPGDMAPTPOLB
SCHEMBL6439325 0.74 PPARA (0.56) MAPTFFAR1PPARGPPARDPPARA
SCHEMBL13747221 0.71 GAA (0.44) GAASMN1; SMN2KMT2A
SCHEMBL13964354 0.71 ALOX12 (0.44) GAASMN1; SMN2MAPTPOLBRAB9A
SCHEMBL13939362 0.70 MAPT (0.41) GAASMN1; SMN2HPGDMAPTPOLB
SCHEMBL6437142 0.70 MAPT (0.41) GAASMN1; SMN2HPGDMAPTPOLB
SCHEMBL13939438 0.68 F2RL1 (0.44) SMN1; SMN2MAPTPOLBRAB9ATSHR
SCHEMBL14566050 0.67 MAPT (0.56) GAASMN1; SMN2HPGDMAPTRAB9A
SCHEMBL13939428 0.65 HDAC1 (0.40) GAASMN1; SMN2HPGDMAPTPOLB

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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 — — 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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry F3, TBCA, GYPA GAA 649/4885SMN1; SMN2 3556/4885HPGD 2067/4885

“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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