SCHEMBL894842

SCHEMBL894842

CC(C=O)=C(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
TSHR P16473 4/20 0.45
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
ESR1 P03372 1/20 0.43
PTGS2 P35354 2/20 0.41
DAO P14920 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
AKT1 P31749 1/20 0.38
CYP19A1 P11511 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL15122603 1.00 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL9520116 1.00 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL11462823 0.81 ALDH1A1 (0.48) ALDH1A1TSHRESR1MEN1KMT2A
SCHEMBL11462824 0.81 ALDH1A1 (0.48) ALDH1A1TSHRESR1MEN1KMT2A
SCHEMBL7855650 0.81 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL2222239 0.81 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL27469663 0.79 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL12657759 0.77 ESR1 (0.51) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL1825340 0.77 ESR1 (0.51) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL1825343 0.77 ESR1 (0.51) ALDH1A1TDP1MAPK1TSHRCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299196-A1 Flindersia Alkaloids, Derivatives and Analogs: Compositions and Methods for Producing the Same UNIVERSITY OF HOUSTON SYSTEM (US) 2015-10-22 US claimed
US-9067946-B2 Flindersia alkaloids, derivatives and analogs: compositions and methods for producing the same UNIVERSITY OF HOUSTON SYSTEM (US) 2015-06-30 US claimed
WO-2013109866-A1 FLINDERSIA ALKALOIDS, DERIVATIVES AND ANALOGS: COMPOSITIONS AND METHODS FOR PRODUCING THE SAME UNIVERSITY OF HOUSTON SYSTEM (US) 2013-07-25 WO claimed
US-20130190511-A1 Flindersia Alkaloids, Derivatives and Analogs: Compositions and Methods for Producing the Same HOUSTON SYSTEM, UNIVERSITY OF 2013-07-25 US claimed
US-5565328-A COLORIMETRIC ANALYSIS WITH FLUOROMETRIC READER USING SUITABLE FLUOROPHORE DADE INTERNATIONAL INC. (US) 1996-10-15 US claimed
WO-2024190912-A1 METHOD FOR SUPPRESSING VITAMIN ODOR 味の素株式会社 2024-09-19 WO disclosed
US-11389464-B2 Arginase inhibitors as therapeutics MARS, INCORPORATED (US) 2022-07-19 US disclosed
EP-3719024-A1 ARGINASE INHIBITORS AS THERAPEUTICS Mars, Incorporated (US) 2020-10-07 EP disclosed
US-20200246362-A1 Arginase Inhibitors as Therapeutics MARS, INCORPORATED 2020-08-06 US disclosed
CN-106008569-B9 Borate as arginase inhibitor and composition and application thereof 马尔斯公司 2020-05-22 CN disclosed
EP-3034509-B1 ARGINASE INHIBITORS AS THERAPEUTICS MARS INC (US) 2020-04-22 EP disclosed
CN-106008569-B Borate as arginase inhibitor and composition and application thereof 马尔斯公司 2020-04-03 CN disclosed
US-5888760-A COMBINATION OF NON-REDUNDANT TESTS IN REACTION CHAMBERS CONTAINING SUBSTRATES FOR ENZYMATIC CLASSIFICATION BY DETECTION OF FLUORESCENT OR COLORIMETRIC PRODUCTS FORMED DADE MICROSCAN INC. (US) 1999-03-30 US disclosed
WO-1998045469-A1 UNIVERSAL TEST SYSTEMS AND METHODS OF USE THEREOF FOR IDENTIFYING MULTIPLE FAMILIES OF MICROORGANISMS DADE MICROSCAN INC. (US) 1998-10-15 WO disclosed
EP-0254578-B1 ANTIBIOTIC INTERMEDIATES ELI LILLY AND COMPANY (US) 1993-09-08 EP disclosed
EP-0480242-A2 Method for the production of alpha,beta-unsaturated carbonyl compounds BASF Aktiengesellschaft (DE) 1992-04-15 EP disclosed
US-4772694-A Chiral 3-(1,2,5-trisubstituted imidazolidinone) azetidinone antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-09-20 US disclosed
EP-0254578-A1 Antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-01-27 EP disclosed
US-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 US disclosed
US-3716336-A METHOD FOR DETERMINING PROCAINAMIDE LEVELS IN BLOOD OR URINE SQUIBB & SONS INC 1973-02-13 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-11389464-B2 Arginase inhibitors as therapeutics ARG1, ARG2, PRMT1 ALDH1A1 1448/4885TDP1 1099/4885MAPK1 2804/4885
US-20130190511-A1 Flindersia Alkaloids, Derivatives and Analogs: Compositions and Methods for Producing the Same NAAA, MAOA, AANAT ALDH1A1 2072/4885TDP1 904/4885MAPK1 2407/4885
US-20200246362-A1 Arginase Inhibitors as Therapeutics ARG1, ARG2, PRMT1 ALDH1A1 1448/4885TDP1 1099/4885MAPK1 2804/4885
US-20150299196-A1 Flindersia Alkaloids, Derivatives and Analogs: Compositions and Methods for Producing the Same MAOA, NAAA, FLNA ALDH1A1 2383/4885TDP1 795/4885MAPK1 2577/4885

“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.