SCHEMBL6581884

SCHEMBL6581884

CC(C)(C)c1cccc(C(=O)CO)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.72
CYP26A1 O43174 1/20 0.52
CYP26B1 Q9NR63 1/20 0.52
NR1H4 Q96RI1 1/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 2/20 0.48
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC3 O15379 1/20 0.43
CES2 O00748 1/20 0.43
KCNK9 Q9NPC2 1/20 0.41
CTSL P07711 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESRRG P62508 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL7218374 0.85 ACHE (0.72) ACHECYP26A1CYP26B1NR1H4HDAC8
SCHEMBL11749643 0.84 ACHE (0.70) ACHECYP26A1CYP26B1NR1H4HDAC8
Methane SCHEMBL377242 0.84 ACHE (0.70) ACHECYP26A1CYP26B1NR1H4HDAC8
SCHEMBL30479628 0.84 ACHE (0.70) ACHECYP26A1CYP26B1NR1H4HDAC8
SCHEMBL28551872 0.83 ACHE (0.51) ACHECYP26A1CYP26B1NR1H4CES2
SCHEMBL16775747 0.82 ACHE (0.68) ACHECYP26A1CYP26B1NR1H4HDAC8
SCHEMBL1712437 0.81 CES2 (0.67) ACHECES2MEN1KMT2AALDH1A1
SCHEMBL4075763 0.80 ACHE (0.46) ACHEHDAC8HDAC6RXRARXRB
SCHEMBL12235278 0.80 TDP1 (0.48) ACHEMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL16958055 0.79 ACHE (0.54) ACHECYP26A1CYP26B1NR1H4HDAC8

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106542996-B A kind of synthetic method of 2- hydroxy-3-nitroacetophenone 昆山力田医化科技有限公司 2019-08-30 CN claimed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
CN-106542996-B A kind of synthetic method of 2- hydroxy-3-nitroacetophenone 昆山力田医化科技有限公司 2019-08-30 CN disclosed
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2018-08-09 US disclosed
US-9988369-B2 Heterocyclic triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2018-06-05 US disclosed
US-9868721-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2018-01-16 US disclosed
US-9845310-B2 Intermediates for preparing triazole agonists of the APJ receptor AMGEN INC. (US) 2017-12-19 US disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 US disclosed
US-20170281625-A1 METHODS OF TREATING HEART FAILURE AMGEN INC. 2017-10-05 US disclosed
US-9751864-B2 Methods for preparing triazole agonists of the APJ receptor AMGEN INC. (US) 2017-09-05 US disclosed
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2016-11-24 US disclosed
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed
US-4745114-A MORPHOLINE SUBSTITUTED BENZOPYRAN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-17 US disclosed
WO-1980000561-A1 ALPHA-ALKYL-O-OXY-BENZYLAMIN DERIVATIVES,PREPARATION THEREOF AND REMEDIES CONTAINING THEM SANDOZ AG (CH) 1980-04-03 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 (9 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-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ACHE 4306/4885CYP26A1 296/4885CYP26B1 350/4885
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, GPR27 ACHE 4483/4885CYP26A1 930/4885CYP26B1 826/4885
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ACHE 4306/4885CYP26A1 296/4885CYP26B1 350/4885
US-20170281625-A1 METHODS OF TREATING HEART FAILURE FABP3, TNNI3, APLNR ACHE 2361/4885CYP26A1 2127/4885CYP26B1 1806/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 ACHE 4385/4885CYP26A1 699/4885CYP26B1 650/4885
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ACHE 4306/4885CYP26A1 296/4885CYP26B1 350/4885
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ACHE 4306/4885CYP26A1 296/4885CYP26B1 350/4885
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ACHE 4306/4885CYP26A1 296/4885CYP26B1 350/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 ACHE 4793/4885CYP26A1 658/4885CYP26B1 574/4885

“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.