SCHEMBL7096047

SCHEMBL7096047

CCCc1cc(OC)c(OC)c(C(=O)O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.49
PTPN1 P18031 3/20 0.45
PTPN11 Q06124 2/20 0.45
PPARA Q07869 2/20 0.44
ALOX5 P09917 2/20 0.43
TPMT P51580 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPK1 P28482 1/20 0.40
PTPN2 P17706 1/20 0.40

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
SCHEMBL9549980 0.88 TPMT (0.46) PPARATPMTCA12CA1CA2
SCHEMBL3546860 0.81 TPMT (0.58) HMGCRPPARAALOX5TPMTPPARG
SCHEMBL8678225 0.81 PPARA (0.51) HMGCRPTPN1PTPN11PPARATPMT
SCHEMBL9774171 0.80 TPMT (0.55) PTPN1TPMTCA12CA1CA2
SCHEMBL5587709 0.79 PTPN1 (0.51) HMGCRPTPN1PTPN11PPARAALOX5
SCHEMBL23748617 0.79 PPARA (0.56) PTPN1PPARAALOX5PPARGPPARD
SCHEMBL10912885 0.77 KDM4E (0.44) PPARATPMTCA12CA1CA2
SCHEMBL7095487 0.77 HMGCR (0.49) HMGCRALOX5
SCHEMBL8473100 0.76 HMGCR (0.44) HMGCRPPARAALOX5TPMTPPARG
SCHEMBL9549933 0.75 PTGS2 (0.46) CA12CA1CA2CA9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030113275-A1 Process for the preparation of 1-Propyl-2, 4, 5- trimethoxybenzene from toxic beta-asarone of Acorus calamus or from crude calamus oil containing beta-asarone COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2003-06-19 US disclosed
US-6528041-B2 Organoleptic COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-03-04 US disclosed
US-20020035299-A1 Process for the preparation of 1-Propyl-2, 4, 5-trimethoxybenzene from toxic beta-asarone of acorus calamus or from crude calamus oil containing beta-asarone COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2002-03-21 US disclosed
US-5240957-A Dopaminergic agent ASTRA LAKEMEDEL AKTEIBOLAG (SE) 1993-08-31 US disclosed
EP-0156776-A1 Derivatives of N-(2-pyrrolidinylmethyl)-benzamide, process for their preparation, intermediates and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1985-10-02 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 (2 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-20020035299-A1 Process for the preparation of 1-Propyl-2, 4, 5-trimethoxybenzene from toxic beta-asarone of acorus calamus or from crude calamus oil containing beta-asarone ADRA2B, CYP1B1, ADRB1 HMGCR 365/4885PTPN1 3657/4885PTPN11 4519/4885
US-20030113275-A1 Process for the preparation of 1-Propyl-2, 4, 5- trimethoxybenzene from toxic beta-asarone of Acorus calamus or from crude calamus oil containing beta-asarone ADRA2B, CYP1B1, ADRB1 HMGCR 348/4885PTPN1 3686/4885PTPN11 4514/4885

“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.