SCHEMBL3757645

SCHEMBL3757645

Nc1cc(C(=O)O)ccc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.50
GAA P10253 9/20 0.50
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
THRB P10828 3/20 0.50
HPGD P15428 3/20 0.50
GFER P55789 2/20 0.50
HTT P42858 1/20 0.50
PLEC Q15149 1/20 0.50
HSD17B10 Q99714 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
POLB P06746 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NR4A1 P22736 1/20 0.47
CDC25B P30305 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
RCE1 Q9Y256 1/20 0.46
LMNA P02545 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
SCHEMBL29953103 1.00 KDM4E (0.50) KDM4EGAAMAPTALDH1A1THRB
Hydrochloric Acid SCHEMBL29958669 0.98 KDM4E (0.49) KDM4EGAAMAPTALDH1A1THRB
SCHEMBL28154507 0.82 MAPK1 (0.54) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL629923 0.79 KDM4E (0.64) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL29957691 0.79 KDM4E (0.64) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL29239643 0.79 MAPT (0.39) KDM4EGAAMAPTALDH1A1THRB
SCHEMBL29952929 0.78 ACHE (0.44) MAPTTDP1
Hydrochloric Acid SCHEMBL29952442 0.78 KDM4E (0.62) KDM4EGAAMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL629029 0.78 KDM4E (0.62) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL29950782 0.78 TSHR (0.50) KDM4EGAAMAPTALDH1A1HSD17B10

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-116396225-B Metal organic frame material for zinc-air battery, ligand and application thereof 吉林省卓材新研科技有限公司 2023-10-20 CN disclosed
CN-116253694-B Ligand, metal organic framework material, application of ligand and metal organic framework material and perovskite solar cell 吉林省卓材新研科技有限公司 2023-08-01 CN disclosed
CN-116396225-A Metal organic frame material for zinc-air battery, ligand and application thereof 吉林省卓材新研科技有限公司 2023-07-07 CN disclosed
CN-116253694-A Ligand, metal organic framework material, application of ligand and metal organic framework material and perovskite solar cell 吉林省卓材新研科技有限公司 2023-06-13 CN disclosed
US-11021435-B2 Serotonin receptor-targeting compounds and methods NORTHEASTERN UNIVERSITY (US) 2021-06-01 US disclosed
US-10548856-B2 Compounds and methods for modulating serotonin receptors in the periphery NORTHEASTERN UNIVERSITY (US) 2020-02-04 US disclosed
US-20180125798-A1 Compounds and Methods for Modulating Serotonin Receptors in the Periphery NORTHEASTERN UNIVERSITY 2018-05-10 US disclosed
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-23 US disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 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 (5 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-20180125798-A1 Compounds and Methods for Modulating Serotonin Receptors in the Periphery HTR5A, HTR3A, HTR1A KDM4E 4217/4885GAA 3819/4885MAPT 1771/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA KDM4E 1014/4885GAA 1593/4885MAPT 790/4885
US-10548856-B2 Compounds and methods for modulating serotonin receptors in the periphery HTR5A, HTR3A, HTR1A KDM4E 4217/4885GAA 3819/4885MAPT 1771/4885
US-11021435-B2 Serotonin receptor-targeting compounds and methods HTR1A, HTR2C, HTR7 KDM4E 2965/4885GAA 4506/4885MAPT 1069/4885
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods HTR1A, HTR2C, HTR7 KDM4E 2965/4885GAA 4506/4885MAPT 1069/4885

“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.