SCHEMBL7997397

SCHEMBL7997397

COc1ccc(C(=O)/C=C(\O)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62
CA7 P43166 1/20 0.62
TPMT P51580 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
ABCG2 Q9UNQ0 6/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
TNFRSF1A P19438 2/20 0.59
MAPT P10636 4/20 0.58
LMNA P02545 3/20 0.58
ABCB1 P08183 1/20 0.55
MEN1 O00255 4/20 0.52

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
SCHEMBL16500517 0.91 CA12 (0.53) CA12CA1CA2CA4CA6
SCHEMBL12922892 0.84 CYP3A4 (0.61) CA12CA1CA2CA4CA6
SCHEMBL4281872 0.80 CYP1A2 (0.66) CA12CA1CA2CA4CA6
SCHEMBL2093895 0.80 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL5585560 0.79 ABCG2 (0.69) CA12CA1CA2CA4CA6
SCHEMBL5585564 0.79 ABCG2 (0.69) CA12CA1CA2CA4CA6
SCHEMBL9870146 0.79 CYP2C19 (0.65) CA12CA1CA2CA4CA6
SCHEMBL9870153 0.79 CYP2C19 (0.65) CA12CA1CA2CA4CA6
Water SCHEMBL29060509 0.79 CYP1A2 (0.63) CA12CA1CA2CA4CA6
SCHEMBL547153 0.79 CYP1A2 (0.63) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435373-B2 Drug for inhibiting aggregation of proteins involved in diseases linked to protein aggregation and/or neurodegenerative diseases LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2019-10-08 US disclosed
US-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2016-06-30 US disclosed
US-20110293520-A1 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. 2011-12-01 US disclosed
WO-2010000372-A2 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2010-01-07 WO 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 (3 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-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES PARK7, APP, HYPK CA12 3913/4885CA1 2248/4885CA2 3096/4885
US-20110293520-A1 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES PARK7, HYPK, IK CA12 4126/4885CA1 3027/4885CA2 3455/4885
US-10435373-B2 Drug for inhibiting aggregation of proteins involved in diseases linked to protein aggregation and/or neurodegenerative diseases PARK7, APP, HYPK CA12 3913/4885CA1 2248/4885CA2 3096/4885

“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.