SCHEMBL4329904

SCHEMBL4329904

COCn1cc(C=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 8/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 5/20 0.56
HTT P42858 3/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
IMPDH2 P12268 1/20 0.56
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL1518274 0.84 POLB (0.71) POLBTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL5820805 0.82 ALDH1A1 (0.64) POLBTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL56944 0.82 ALDH1A1 (0.74) POLBTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL379309 0.81 ALDH1A1 (0.62) POLBTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL30512327 0.81 ALDH1A1 (0.62) POLBTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL8265051 0.81 ALDH1A1 (0.69) POLBTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL5475563 0.79 ALDH1A1 (0.76) POLBALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL14448832 0.79 POLB (0.62) POLBTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL31516344 0.79 POLB (0.62) POLBTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL23538115 0.79 POLB (0.52) POLBTDP1L3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200323829-A1 Inhibitors of Mitochondrial Fission QUEEN'S UNIVERSITY AT KINGSTON (CA) 2020-10-15 US disclosed
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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 (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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 POLB 3622/4885TDP1 4437/4885L3MBTL1 3856/4885
US-20200323829-A1 Inhibitors of Mitochondrial Fission FIS1, DNM1L, RHOT2 POLB 960/4885TDP1 727/4885L3MBTL1 2353/4885

“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.