SCHEMBL4493046

SCHEMBL4493046

C=C/C=C/NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 2/20 0.57
POLB P06746 2/20 0.57
RAB9A P51151 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
TGM2 P21980 1/20 0.51
LMNA P02545 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
HTT P42858 1/20 0.47
MIF P14174 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL4493048 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL2137493 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL1557396 0.84 TGM2 (0.54) ALDH1A1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL483306 0.83 TGM2 (0.56) ALDH1A1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL16069010 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL19279411 0.81 HCAR2 (0.60) ALDH1A1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL16061893 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL16061894 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL8775648 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL5242238 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260016750-A1 SEMICONDUCTOR PHOTORESIST COMPOSITION AND METHOD OF FORMING PATTERNS USING THE COMPOSITION SAMSUNG ELECTRONICS CO., LTD. (KR) 2026-01-15 US disclosed
EP-2546257-B1 BISPHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING SAME UNIV TOHOKU NAT UNIV CORP (JP) 2014-08-27 EP disclosed
US-8420847-B2 Bis-phosphate compound and asymmetric reaction using the same NATIONAL UNIVERSITY CORPORATION TOHOKU UNIVERSITY (JP) 2013-04-16 US disclosed
US-8420847-B2 Bis-phosphate compound and asymmetric reaction using the same NATIONAL UNIVERSITY CORPORATION TOHOKU UNIVERSITY (JP) 2013-04-16 US disclosed
US-8420847-B2 Bis-phosphate compound and asymmetric reaction using the same NATIONAL UNIVERSITY CORPORATION TOHOKU UNIVERSITY (JP) 2013-04-16 US disclosed
EP-2546257-A1 BISPHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING SAME National University Corporation Tohoku University (JP) 2013-01-16 EP disclosed
US-20120330038-A1 BIS-PHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING THE SAME API CORPORATION (JP) 2012-12-27 US disclosed
US-20120330038-A1 BIS-PHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING THE SAME API CORPORATION (JP) 2012-12-27 US disclosed
US-20120330038-A1 BIS-PHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING THE SAME API CORPORATION (JP) 2012-12-27 US disclosed
US-7592463-B2 An imidazolidinone compounds is used in reaction as catalyst to lower the energy level of the lowest unoccupied molecular orbital CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-09-22 US disclosed
US-7592463-B2 An imidazolidinone compounds is used in reaction as catalyst to lower the energy level of the lowest unoccupied molecular orbital CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-09-22 US disclosed
EP-1461320-B1 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2008-04-09 EP disclosed
EP-1461320-B1 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2008-04-09 EP disclosed
EP-1461320-A4 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2004-12-08 EP disclosed
EP-1461320-A2 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-09-29 EP disclosed
US-20030220507-A1 Enantioselective transformation of alpha,beta-unsaturated ketones using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-11-27 US disclosed
WO-2003047740-A2 ENANTIOSELECTIVE TRANSFORMATION OF α,β-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-06-12 WO disclosed
US-6140531-A HEATING 2-ALKENYL AZIDE IN SOLVENT PPG INDUSTRIES OHIO, INC. (US) 2000-10-31 US disclosed
US-5387704-A Preparation of anthraquinones BASF AKTIENGESELLSCHAFT (DE) 1995-02-07 US disclosed
EP-0516861-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-12-09 EP 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-20030220507-A1 Enantioselective transformation of alpha,beta-unsaturated ketones using chiral organic catalysts HACL2, EBP, MED1 ALDH1A1 8/4885SMN1; SMN2 2844/4885NPC1 3226/4885
US-20260016750-A1 SEMICONDUCTOR PHOTORESIST COMPOSITION AND METHOD OF FORMING PATTERNS USING THE COMPOSITION C1S, CCNA1, CCNT1 ALDH1A1 639/4885SMN1; SMN2 2948/4885NPC1 2119/4885
US-20120330038-A1 BIS-PHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING THE SAME AASDHPPT, ALDH7A1, ATIC ALDH1A1 342/4885SMN1; SMN2 4544/4885NPC1 4782/4885

“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.