SCHEMBL3670503

SCHEMBL3670503

C=CC(C)(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.37
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
TET2 Q6N021 1/20 0.32
TP53 P04637 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
ACLY P53396 1/20 0.30

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
SCHEMBL13101268 0.86 ALDH1A1 (0.36) TSHRALDH1A1LMNA
SCHEMBL28277223 0.84 ALDH1A1 (0.35) TSHRALDH1A1LMNACYP2C19
SCHEMBL13112966 0.80 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL9768621 0.80 ALDH1A1 (0.32) TSHRALDH1A1TET2
SCHEMBL25299763 0.75 ALDH1A1 (0.42) TSHRALDH1A1LMNATP53
SCHEMBL8707257 0.75
SCHEMBL65091 0.75
SCHEMBL13112959 0.75 HCAR2 (0.41) TSHRALDH1A1LMNA
Bicarbonate SCHEMBL18227134 0.73 LMNA (0.41) TSHRALDH1A1LMNACYP2C19CYP2D6
SCHEMBL216824 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101878309-B Malonate decarboxylases for industrial applications BASF SE (DE) 2016-01-13 CN disclosed
US-20150147800-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2015-05-28 US disclosed
US-20150147800-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2015-05-28 US disclosed
US-8951750-B2 Malonate decarboxylases for industrial applications BASF SE (DE) 2015-02-10 US disclosed
US-8951750-B2 Malonate decarboxylases for industrial applications BASF SE (DE) 2015-02-10 US disclosed
US-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-12-09 US disclosed
CN-101878309-A Malonate decarboxylases for industrial applications BASF SE 2010-11-03 CN disclosed
US-6011133-A Laminates of glass or metal and poly(alkylene dicarboxylates) and syntheses thereof BAYLOR UNIVERSITY (US) 2000-01-04 US disclosed
US-5837381-A MULTILAYER PROTECTIVE COATING; WEAR AND CORROSION RESISTANCE UNIV BAYLOR (US) 1998-11-17 US disclosed
US-5668224-A TETRAALKYL- OR TRIALKYLAMMONIUM END GROUPS BAYLOR UNIVERSITY 1997-09-16 US disclosed
US-5451643-A PROTECTIVE COATINGS FOR METALS OR GLASS BAYLOR UNIVERSITY (US) 1995-09-19 US disclosed
WO-1994020296-A1 POLY (ALKYLENE DICARBOXYLATES) AND SYNTHESES THEREOF BAYLOR UNIVERSITY (US) 1994-09-15 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 (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-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS ME1, AMD1, GMDS TSHR 3368/4885ALDH1A1 139/4885LMNA 4196/4885

“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.