SCHEMBL6350811

SCHEMBL6350811

CCC(C(O)CCc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.41
▸ TRPA1 O75762 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ ANPEP P15144 2/20 0.38
▸ ERAP1 Q9NZ08 2/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TAAR1 Q96RJ0 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
SCHEMBL1149281 0.81 TSHR (0.45) TSHRMEN1KMT2AALDH1A1CYP1A2
SCHEMBL17354923 0.81 TSHR (0.45) TSHRMEN1KMT2AALDH1A1CYP1A2
SCHEMBL19025403 0.76 ANPEP (0.44) TSHRALDH1A1CYP1A2POLBCYP3A4
SCHEMBL6338975 0.74 LMNA (0.40) TSHRALDH1A1CYP3A4HTR2A
SCHEMBL10393559 0.73 LMNA (0.47) PKMTSHRMEN1KMT2AALDH1A1
SCHEMBL475203 0.73 CPA1 (0.47) TSHRANPEPERAP1ERAP2
SCHEMBL7268763 0.73 TDP1 (0.52) TSHRALDH1A1CYP3A4HTR2AANPEP
SCHEMBL30146557 0.73 TDP1 (0.52) TSHRALDH1A1CYP3A4HTR2AANPEP
SCHEMBL30146580 0.73 TDP1 (0.52) TSHRALDH1A1CYP3A4HTR2AANPEP
SCHEMBL102138 0.73 TRPA1 (0.56) TRPA1TSHRMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969775-B2 Method of producing organic compounds in presence of oxyethylene ether catalyst and in a solvent minimized environment THE TEXAS A&M UNIVERSITY SYSTEM (US) 2005-11-29 — — US disclosed
US-20040138509-A1 Method of producing organic compounds in presence of oxyethylene ether catalyst and in a solvent minimized environment THE TEXAS A&M UNIVERSITY SYSTEM 2004-07-15 — — 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-20040138509-A1 Method of producing organic compounds in presence of oxyethylene ether catalyst and in a solvent minimized environment CYP2E1, CYP3A43, CYP1A2 PKM 1966/4885TRPA1 222/4885TSHR 3174/4885

“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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