SCHEMBL3334714

SCHEMBL3334714

COCCOc1cccc(CC(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
SLC7A5 Q01650 1/20 0.49
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PLA2G4B P0C869 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
CYP2D6 P10635 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GFER P55789 1/20 0.44
CTSD P07339 1/20 0.44
GLS O94925 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL28588436 0.88 KMT2A (0.55) ALDH1A1KDM4EGAASLC7A5SMN1; SMN2
SCHEMBL2768717 0.87 SLC7A5 (0.48) ALDH1A1KDM4EGAASLC7A5SMN1; SMN2
SCHEMBL334386 0.87 SLC7A5 (0.48) ALDH1A1KDM4EGAASLC7A5SMN1; SMN2
SCHEMBL2767522 0.87 SLC7A5 (0.48) ALDH1A1KDM4EGAASLC7A5SMN1; SMN2
SCHEMBL7804122 0.87 PLA2G4B (0.60) ALDH1A1KDM4EGAAPLA2G4BCYP2D6
SCHEMBL1997596 0.87 SLC7A5 (0.48) ALDH1A1KDM4EGAASLC7A5SMN1; SMN2
SCHEMBL13178572 0.86 SLC7A5 (0.50) ALDH1A1KDM4EGAASLC7A5SMN1; SMN2
SCHEMBL18301907 0.86 PLA2G4B (0.59) ALDH1A1KDM4EGAAPLA2G4B
SCHEMBL15042304 0.86 SLC7A5 (0.45) ALDH1A1KDM4EGAASLC7A5AURKA
SCHEMBL3868045 0.85 SLC7A5 (0.47) ALDH1A1KDM4EGAASLC7A5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4053108-B1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2026-03-11 EP disclosed
US-20260055063-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2026-02-26 US disclosed
US-12503444-B2 Compound containing benzene ring and application thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2025-12-23 US disclosed
CN-114845996-B Benzene ring-containing compound and application thereof 武汉朗来科技发展有限公司 2023-09-12 CN disclosed
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-06-15 US disclosed
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-06-15 US disclosed
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-06-15 US disclosed
EP-4053108-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-09-07 EP disclosed
CN-114845996-A Compound containing benzene ring and application thereof 武汉朗来科技发展有限公司 2022-08-02 CN disclosed
WO-2021104486-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-06-03 WO disclosed
US-8865718-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES INC. (US) 2014-10-21 US disclosed
WO-2014089048-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2014-06-12 WO disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 US disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 US disclosed
WO-2013078123-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-05-30 WO disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 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 (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-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL ALDH1A1 639/4885KDM4E 666/4885GAA 35/4885
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators GRM5, GRM1, GRM2 ALDH1A1 1506/4885KDM4E 3322/4885GAA 4378/4885
US-20260055063-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF CNR2, RYR2, CNR1 ALDH1A1 756/4885KDM4E 4433/4885GAA 3952/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL ALDH1A1 639/4885KDM4E 666/4885GAA 35/4885
US-12503444-B2 Compound containing benzene ring and application thereof P2RX4, P2RX7, P2RX2 ALDH1A1 817/4885KDM4E 3624/4885GAA 2757/4885
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF P2RX4, P2RX7, P2RX2 ALDH1A1 817/4885KDM4E 3624/4885GAA 2757/4885

“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.