SCHEMBL6965684

SCHEMBL6965684

[CH2]OC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.65
NPSR1 Q6W5P4 1/20 0.55
SRD5A2 P31213 1/20 0.54
LMNA P02545 3/20 0.51
P2RX1 P51575 1/20 0.51
POLB P06746 2/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 3/20 0.49
PRKCA P17252 1/20 0.49
PRKCD Q05655 1/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNK3 O14649 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL31406174 0.85 CES2 (0.69) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL9200320 0.85 CES2 (0.69) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL11802784 0.84 CES2 (0.67) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL20267656 0.84 CES2 (0.67) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL17760574 0.82 CES2 (0.65) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL40351 0.82 CES2 (0.65) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL3646450 0.82 CES2 (0.65) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL31355711 0.82 CES2 (0.65) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL715874 0.81 CES2 (0.59) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL9200329 0.81 CES2 (0.62) CES2NPSR1SRD5A2LMNAP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654354-A 1,3,4, 9-tetrahydro-2H-pyrido [3,4-b ] indole derivative compound and application thereof 菲尼克思药业股份有限公司 2021-04-13 CN claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
EP-3836919-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF Recreo Pharmaceuticals Inc. (US) 2021-06-23 EP disclosed
US-20210163479-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF RECREO PHARMACEUTICALS LLC (US) 2021-06-03 US disclosed
CN-112654354-A 1,3,4, 9-tetrahydro-2H-pyrido [3,4-b ] indole derivative compound and application thereof 菲尼克思药业股份有限公司 2021-04-13 CN disclosed
WO-2020037155-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF RECREO PHARMACEUTICALS LLC (US) 2020-02-20 WO disclosed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US disclosed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP disclosed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-3943153-A BACTERICIDES MERCK & CO., INC. (US) 1976-03-09 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 (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-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD CES2 1061/4885NPSR1 1989/4885SRD5A2 467/4885
US-20210163479-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA1, FOXM1 CES2 2969/4885NPSR1 240/4885SRD5A2 387/4885

“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.