SCHEMBL4762196

SCHEMBL4762196

CC(c1ccccc1)C1CC(=O)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
PKM P14618 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.36
CTRC Q99895 1/20 0.35
FAAH O00519 1/20 0.34
CTRB1 P17538 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH2 P05091 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL14047364 0.79 ALDH1A1 (0.36) ALDH1A1PKMCTRCRAB9A
SCHEMBL21845024 0.79 ALDH1A1 (0.33) ALDH1A1MCOLN3PKMKMT2ACYP2D6
SCHEMBL23836841 0.76 CYP2C9 (0.35) ALDH1A1MCOLN3PKM
SCHEMBL19757591 0.75 RIPK1 (0.39) ALDH1A1KMT2APOLB
SCHEMBL9367503 0.73 GSTP1 (0.37) ALDH1A1KMT2ACYP2D6CTRCCTRB1
SCHEMBL9367500 0.73 GSTP1 (0.37) ALDH1A1KMT2ACYP2D6CTRCCTRB1
SCHEMBL13435215 0.73 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL11625723 0.72 RAB9A (0.50) ALDH1A1MCOLN3PKMGAAKMT2A
SCHEMBL15706250 0.72 TAAR1 (0.42) ALDH1A1KMT2ARAB9A
SCHEMBL17499966 0.71 ALDH1A1 (0.46) ALDH1A1MCOLN3PKMGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160317672-A1 DERIVATIVE OF STYRENE-MALEIC ACID COPOLYMER Maeda, Hiroshi (JP) 2016-11-03 US disclosed
US-8932662-B2 Coatings prepared from poly(ethylene oxide) and photo-initator-containing scaffolds COLOPLAST A/S (DK) 2015-01-13 US disclosed
US-20140363562-A1 PHOTO-CURING OF THERMOPLASTIC COATINGS COLOPLAST A/S (DK) 2014-12-11 US disclosed
US-20130115466-A1 PHOTO-CURING OF THERMOPLASTIC COATINGS COLOPLAST A/S (DK) 2013-05-09 US disclosed
US-20120121919-A1 MEDICAL DEVICE OF POLYOLEFIN COLOPLAST A/S (DK) 2012-05-17 US disclosed
US-20100119833-A1 PHOTO-CURING OF THERMOPLASTIC COATINGS MADSEN NIELS JORGEN 2010-05-13 US disclosed
US-4309335-A THERMAL AGING RESISTANCE; ORTHO-SUBSTITUTED PHENYL ACID PHOSPHITE ADEKA ARGUS CHEMICAL CO., LTD. 1982-01-05 US disclosed
US-4122185-A 2-Phenyl- and 2-benzyl-N-[(trichloromethyl)thio]succinimides, and fungicidal compositions thereof STERLING DRUG INC. (US) 1978-10-24 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-20160317672-A1 DERIVATIVE OF STYRENE-MALEIC ACID COPOLYMER ME3, SMN1; SMN2, SMC1A ALDH1A1 174/4885MCOLN3 2168/4885PKM 1868/4885

“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.