SCHEMBL7095487

SCHEMBL7095487

CCCc1cc(OC)c(OC)c(C(N)=O)c1O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.49
TAAR1 Q96RJ0 1/20 0.41
TSHR P16473 1/20 0.41
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 4/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 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
SCHEMBL7096047 0.77 HMGCR (0.49) HMGCRALOX5
SCHEMBL19463882 0.70 HMGCR (0.56) HMGCRALOX5GABRA1GABRB2
SCHEMBL5587556 0.70 HMGCR (0.44) HMGCRALOX5
SCHEMBL25277526 0.69 CYP1A2 (0.59) TAAR1TSHR
SCHEMBL20399526 0.69 HMGCR (0.54) HMGCRALOX5GABRA1GABRB2
SCHEMBL28502987 0.69 TSHR (0.42) HMGCRTSHRHTTALDH1A1SMN1; SMN2
SCHEMBL6233280 0.68 ALOX5 (0.77) HMGCRTAAR1TSHRALDH1A1SMN1; SMN2
SCHEMBL9549980 0.68 TPMT (0.46) TAAR1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL25278005 0.68 CYP1A2 (0.57) TAAR1TSHR
SCHEMBL9549933 0.68 PTGS2 (0.46) TAAR1ALDH1A1

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 claimed
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 claimed
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

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 365/4885TAAR1 135/4885TSHR 3018/4885
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 348/4885TAAR1 140/4885TSHR 2977/4885

“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.