SCHEMBL11529597

SCHEMBL11529597

NNC(Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.63
▸ ALOX15 P16050 5/20 0.63
▸ HSD17B10 Q99714 5/20 0.63
▸ HIF1A Q16665 4/20 0.63
▸ TDP1 Q9NUW8 4/20 0.63
▸ RECQL P46063 3/20 0.63
▸ USP2 O75604 2/20 0.63
▸ ADORA3 P0DMS8 2/20 0.63
▸ HTR2A P28223 2/20 0.63
▸ PTGS2 P35354 2/20 0.63
▸ LCK P06239 2/20 0.63
▸ SLC7A5 Q01650 2/20 0.63
▸ EGFR P00533 1/20 0.63
▸ FYN P06241 1/20 0.63
▸ PTGS1 P23219 1/20 0.63
▸ KDM6B O15054 1/20 0.60
▸ CA1 P00915 5/20 0.58
▸ CA2 P00918 5/20 0.58
▸ MME P08473 1/20 0.52
▸ ACE P12821 1/20 0.52

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
SCHEMBL15221364 1.00 KDM4E (0.63) KDM4EALOX15HSD17B10HIF1ATDP1
SCHEMBL30287608 1.00 KDM4E (0.63) KDM4EALOX15HSD17B10HIF1ATDP1
Water SCHEMBL28760502 0.98 KDM4E (0.61) KDM4EALOX15HSD17B10HIF1ATDP1
SCHEMBL12535931 0.87 KDM4E (0.59) KDM4EALOX15HSD17B10HIF1ATDP1
SCHEMBL30724831 0.86 KDM6B (0.64) KDM4EALOX15HSD17B10HIF1ATDP1
SCHEMBL29429645 0.85 KDM6B (0.62) KDM4EALOX15HSD17B10HIF1ATDP1
SCHEMBL5063603 0.85 KDM6B (0.62) KDM4EALOX15HSD17B10HIF1ATDP1
SCHEMBL29669984 0.85 KDM6B (0.62) KDM4EALOX15HSD17B10HIF1ATDP1
SCHEMBL15117440 0.84 KDM4E (0.56) KDM4EALOX15HSD17B10HIF1ATDP1
SCHEMBL27315605 0.84 KDM4E (0.59) KDM4EALOX15HSD17B10HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220298-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING METABOLIC SYNDROME INDUCED BY ANTIPSYCHOTIC TREATMENT AND RELATED DISEASES AND CONDITIONS TUFTS MEDICAL CENTER, INC. 2021-07-22 — — US claimed
WO-2021216781-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-10-28 — — WO disclosed
EP-3876871-A1 SMALL MOLECULE DRUGS AND METHODS TO ACCELERATE OSSEOINTEGRATION The Regents of the University of California (US) 2021-09-15 — — EP disclosed
US-20210220298-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING METABOLIC SYNDROME INDUCED BY ANTIPSYCHOTIC TREATMENT AND RELATED DISEASES AND CONDITIONS TUFTS MEDICAL CENTER, INC. 2021-07-22 — — US disclosed
WO-2019040527-A1 DOPA FORMULATIONS FOR TREATMENTS OF PARKINSON'S DISEASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-28 — — WO disclosed
US-20180055800-A1 Pulmonary Delivery for Levodopa CIVITAS THERAPEUTICS INC (US) 2018-03-01 — — US disclosed
US-20170196828-A1 Continuous Administration of Levodopa and/or Dopa Decarboxylase Inhibitors and Compositions for Same NEURODERM, LTD. (IL) 2017-07-13 — — US disclosed
US-20170196828-A1 Continuous Administration of Levodopa and/or Dopa Decarboxylase Inhibitors and Compositions for Same NEURODERM, LTD. (IL) 2017-07-13 — — US disclosed
US-20130253056-A1 Continuous Administration of Levodopa and/or Dopa Decarboxylase Inhibitors and Compositions for Same NEURODERM, LTD. (IL) 2013-09-26 — — US disclosed
US-20130253056-A1 Continuous Administration of Levodopa and/or Dopa Decarboxylase Inhibitors and Compositions for Same NEURODERM, LTD. (IL) 2013-09-26 — — US disclosed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 — — US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 — — US disclosed
US-4156734-A Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid MERCK & CO., INC. (US) 1979-05-29 — — US disclosed
US-4069333-A 2-HYDRAZINO-3-PHENYLPROPIONIC ACID DECARBOXYLASE INHIBITORS, BENZOXAZOLE ANALINES MERCK & CO., INC. (US) 1978-01-17 — — 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 (4 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-20210220298-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING METABOLIC SYNDROME INDUCED BY ANTIPSYCHOTIC TREATMENT AND RELATED DISEASES AND CONDITIONS GPR119, PC, NLN KDM4E 3272/4885ALOX15 1279/4885HSD17B10 381/4885
US-20170196828-A1 Continuous Administration of Levodopa and/or Dopa Decarboxylase Inhibitors and Compositions for Same COMT, SNCA, SCLY KDM4E 2284/4885ALOX15 806/4885HSD17B10 1176/4885
US-20130253056-A1 Continuous Administration of Levodopa and/or Dopa Decarboxylase Inhibitors and Compositions for Same COMT, SNCA, SCLY KDM4E 2284/4885ALOX15 806/4885HSD17B10 1176/4885
US-20180055800-A1 Pulmonary Delivery for Levodopa PARK7, SNCA, COMT KDM4E 3816/4885ALOX15 1454/4885HSD17B10 2261/4885

“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.

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