SCHEMBL2554589

SCHEMBL2554589

CC(=O)C(=Cc1ccc(C(=O)O)cc1)C(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
TDP1 Q9NUW8 2/20 1.00
POLB P06746 2/20 1.00
GLA P06280 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
KDM4E B2RXH2 4/20 0.64
MAPT P10636 5/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.51
RAB9A P51151 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ATM Q13315 2/20 0.51
NPC1 O15118 2/20 0.51
RECQL P46063 2/20 0.51
STAT1 P42224 1/20 0.51
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL9315389 0.87 ALDH1A1 (0.82) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL7559528 0.83 ALDH1A1 (0.70) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL901113 0.81 ALDH1A1 (0.68) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL901112 0.81 ALDH1A1 (0.68) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL979463 0.80 ALDH1A1 (0.67) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL3218915 0.79 AKR1C3 (0.67) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL9315367 0.79 ALDH1A1 (0.65) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL2026122 0.78 ALDH1A1 (1.00) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL10350417 0.78 ALDH1A1 (0.69) ALDH1A1TDP1POLBGLAL3MBTL1
SCHEMBL8623373 0.78 ALDH1A1 (0.63) ALDH1A1TDP1POLBGLAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357403-B1 Substituted beta-diketones ORION YHTYMAE OY (FI) 1994-12-14 EP claimed
US-5288750-A Antiulcer agents for gastrointestinal disorders ORION-YHTYMA OY (FI) 1994-02-22 US claimed
EP-0357403-A2 Substituted beta-diketones ORION-YHTYMÀ„ OY (FI) 1990-03-07 EP claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-108349866-B Process for producing terephthalic acid 沙特基础工业全球技术有限公司 2022-08-26 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-3377469-B1 A METHOD OF PRODUCING TEREPHTHALIC ACID SABIC GLOBAL TECHNOLOGIES BV (NL) 2019-08-14 EP disclosed
US-10315978-B2 Method of producing terephthalic acid SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-06-11 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20180319732-A1 A METHOD OF PRODUCING TEREPHTHALIC ACID SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-11-08 US disclosed
EP-3377469-A1 A METHOD OF PRODUCING TEREPHTHALIC ACID SABIC Global Technologies B.V. (NL) 2018-09-26 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
EP-0357403-B1 Substituted beta-diketones ORION YHTYMAE OY (FI) 1994-12-14 EP disclosed
US-5288750-A Antiulcer agents for gastrointestinal disorders ORION-YHTYMA OY (FI) 1994-02-22 US disclosed
EP-0357403-A2 Substituted beta-diketones ORION-YHTYMÀ„ OY (FI) 1990-03-07 EP disclosed