SCHEMBL41504

SCHEMBL41504

CCCN(CCC)C([O])=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.55
CA9 Q16790 5/20 0.55
CA2 P00918 3/20 0.55
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CA1 P00915 5/20 0.46
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MLYCD O95822 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
P2RX1 P51575 2/20 0.34
P2RX4 Q99571 2/20 0.34
P2RX3 P56373 1/20 0.34

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
SCHEMBL29210381 0.89 CA12 (0.54) CA12CA9CA2TSHRMAPK1
SCHEMBL967668 0.88
SCHEMBL2333118 0.82 CA12 (0.58) CA12CA9CA2TSHRALDH1A1
SCHEMBL1829047 0.80 CA12 (0.50) CA12CA9CA2TSHRALDH1A1
SCHEMBL29210355 0.80 CA12 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL7652811 0.78 CA12 (0.52) CA12CA9CA2TSHRALDH1A1
SCHEMBL2330737 0.78 CA12 (0.52) CA12CA9CA2TSHRALDH1A1
SCHEMBL55097 0.78 CA12 (0.52) CA12CA9CA2TSHRALDH1A1
SCHEMBL3468211 0.78 CA12 (0.57) CA12CA9CA2TSHRMAPK1
SCHEMBL41505 0.75 CA12 (0.55) CA12CA9CA2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040116297-A1 Use of polyprenol and its derivatives for facilitating growth of plants KWON SEONG-RYONG (KR) 2004-06-17 US claimed
WO-2024128000-A1 ISOPOLYOXOTUNGSTATE SALT COMPOUND, SOLVATE THEREOF OR MIXTURE OF SAID COMPOUND AND SOLVATE, AND METHOD FOR PRODUCING SAID COMPOUND, SOLVATE OR MIXTURE 東京応化工業株式会社 2024-06-20 WO disclosed
US-11160785-B2 Methods and compositions for improving cognitive function AGENEBIO INC. (US) 2021-11-02 US disclosed
EP-2939675-B1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) 2019-09-04 EP disclosed
US-10149840-B2 OCT3 activity inhibitor containing imidazopyridine derivative as active component, and OCT3 detection agent SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2018-12-11 US disclosed
US-20180015109-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY 2018-01-18 US disclosed
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2018-01-04 US disclosed
US-20160271108-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION AGENEBIO, INC. 2016-09-22 US disclosed
EP-2533645-B1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION UNIV JOHNS HOPKINS (US) 2016-07-27 EP disclosed
US-4886904-A CONTAINING CIS AND TRANS ISOPRENE UNITS KURARAY CO., LTD. (JP) 1989-12-12 US disclosed
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 EP disclosed
EP-0321572-A1 PREGNANE DERIVATIVES AND PROCESS FOR THEIR PREPARATION KURARAY CO., LTD. (JP) 1989-06-28 EP disclosed
EP-0251827-A2 New cyclic ether derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-01-07 EP disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed
EP-0188383-A2 Imidazole derivatives, their preparation and therapeutic use SANKYO COMPANY LIMITED (JP) 1986-07-23 EP disclosed
EP-0054753-B1 POLYPRENYL COMPOSITION OR COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF KURARAY CO., LTD. (JP) 1985-07-24 EP disclosed
EP-0054753-A1 Polyprenyl composition or compounds and process for the production thereof KURARAY CO., LTD. (JP) 1982-06-30 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 (6 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-10149840-B2 OCT3 activity inhibitor containing imidazopyridine derivative as active component, and OCT3 detection agent SLCO1B3, SLC22A8, SLCO4C1 CA12 2943/4885CA9 695/4885CA2 377/4885
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 CA12 2197/4885CA9 1495/4885CA2 341/4885
US-20160271108-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE2, BACE1, GRIN2A CA12 483/4885CA9 3429/4885CA2 3139/4885
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 CA12 2943/4885CA9 695/4885CA2 377/4885
US-11160785-B2 Methods and compositions for improving cognitive function BACE2, BACE1, GRIN2A CA12 483/4885CA9 3429/4885CA2 3139/4885
US-20180015109-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE1, BACE2, ACHE CA12 825/4885CA9 3386/4885CA2 1638/4885

“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.