SCHEMBL3720563

SCHEMBL3720563

Cc1cc(OC(C)C)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.46
PARP10 Q53GL7 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE10A Q9Y233 1/20 0.43
POLB P06746 1/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 1/20 0.42
GLA P06280 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
MAPT P10636 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41

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
SCHEMBL19027542 0.85 KMT2A (0.51) ALDH1A1TDP1KMT2APARP10MAPT
SCHEMBL28550208 0.85 TDP1 (0.42) ALDH1A1TDP1KMT2ATP53PDE10A
SCHEMBL3720141 0.83 TDP1 (0.41) ALDH1A1TDP1TP53PDE10AESR1
SCHEMBL4237202 0.83 TRPA1 (0.50) ALDH1A1TDP1KMT2APARP10KDM4E
SCHEMBL1052924 0.83 ALDH1A1 (0.52) ALDH1A1KMT2APARP10KDM4EPOLB
SCHEMBL30517904 0.82 TDP1 (0.45) ALDH1A1TDP1KMT2ATP53KDM4E
SCHEMBL14878288 0.82 TDP1 (0.45) ALDH1A1TDP1KMT2ATP53KDM4E
SCHEMBL3720465 0.81 SMN1; SMN2 (0.46) TDP1TP53PDE10AESR1ESR2
SCHEMBL28670923 0.81 ELANE (0.53) ALDH1A1TDP1TP53KDM4EPDE10A
SCHEMBL28161679 0.81 ALDH1A1 (0.50) ALDH1A1KMT2APARP10POLBGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583813-B2 Polymerization inhibitors BASF SE (DE) 2026-03-24 US disclosed
US-20230242472-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-08-03 US disclosed
EP-4161892-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-04-12 EP disclosed
CN-115697954-A Polymerization inhibitor 巴斯夫欧洲公司 2023-02-03 CN disclosed
CN-110325911-B Photosensitive resin composition, heterocyclic ring-containing polymer precursor, cured film, laminate, method for producing cured film, and semiconductor device 富士胶片株式会社 2023-01-06 CN disclosed
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed
EP-3242897-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF C/o Canon Kabushiki Kaisha (JP) 2017-11-15 EP disclosed
CN-107108774-A Ultra-violet solidified fluid composition, the uv-curing type ink jet ink using it, ultraviolet hardening wet type electrophotographic liquid developer, ultraviolet hardening electrostatic inkjet ink and image forming method 佳能株式会社 2017-08-29 CN disclosed
WO-2016111380-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2016-07-14 WO disclosed
WO-2012090219-A2 THIAZOLE COMPOUNDS USEFUL AS ACETYL-COA CARBOXYLASE (ACC) INHIBITORS JUBILANT BIOSYS LTD. (IN) 2012-07-05 WO disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 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 (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-20230242472-A1 POLYMERIZATION INHIBITORS RCE1, CABLES1, DPYD ALDH1A1 1314/4885TDP1 1161/4885KMT2A 3328/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ALDH1A1 32/4885TDP1 892/4885KMT2A 1744/4885

“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.