SCHEMBL1399847

SCHEMBL1399847

CC1(C(=O)O)CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.41
FFAR3 O14843 1/20 0.39
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL20581854 1.00 KRAS (0.41) KRASFFAR3CYP1A2MAPTCYP2C9
SCHEMBL3170 0.93 FFAR3 (0.37) KRASFFAR3CYP1A2POLB
SCHEMBL8078206 0.91 FFAR3 (0.36) KRASFFAR3POLB
SCHEMBL27437511 0.82 ALDH1A1 (0.35) KRASCYP1A2MAPTCYP2C9TSHR
SCHEMBL13144522 0.78 KRAS (0.39) KRASFFAR3CYP1A2
SCHEMBL7763991 0.78 GRIN1 (0.33) POLB
SCHEMBL10046851 0.77 EED (0.42) MAPTCYP2C9TSHR
SCHEMBL5352623 0.77 EED (0.42) MAPTCYP2C9TSHR
SCHEMBL29100759 0.76 FFAR3 (0.42) KRASFFAR3CYP2C9TSHR
SCHEMBL3121522 0.76 POLB (0.37) MAPTCYP2C9TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571857-B1 PROCESS FOR THE PREPARATION OF PYRIMIDINONE COMPOUNDS GLAXO GROUP LTD (GB) 2017-08-23 EP claimed
US-20060167281-A1 1,2,4- Trioxepanes as precursors for lactones AKZO NOBEL N.V. (NL) 2006-07-27 US claimed
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
US-11389464-B2 Arginase inhibitors as therapeutics MARS, INCORPORATED (US) 2022-07-19 US disclosed
CN-113429273-A Synthesis method of metconazole intermediate 江苏省农用激素工程技术研究中心有限公司 2021-09-24 CN disclosed
CN-109071567-B Anti-influenza small molecule compound and preparation method and application thereof 四川大学 2021-03-23 CN 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
US-20200181095-A1 SELECTIVE MATRIX METALLOPROTEINASE-13 INHIBITORS FLORIDA ATLANTIC UNIVERSITY BOARD OF TRUSTEES (US) 2020-06-11 US disclosed
CN-106008569-B9 Borate as arginase inhibitor and composition and application thereof 马尔斯公司 2020-05-22 CN disclosed
WO-2000017241-A1 AUTO-OXIDATION SYSTEMS FOR AIR-ACTIVATABLE POLYMERISABLE COMPOSITIONS LOCTITE (R & D) LIMITED (IE) 2000-03-30 WO disclosed
EP-0537909-B1 3-(Unsubstituted or substituted benzyl)-1-alkyl-2-oxocyclopentane carboxylic acid alkyl ester derivatives, and their preparation and use KUREHA CHEMICAL IND CO LTD (JP) 1997-01-22 EP disclosed
WO-1995000114-A1 TETRALINE® FORMATE ESTER AROMA CHEMICALS UNION CAMP CORPORATION (US) 1995-01-05 WO disclosed
US-5292719-A Perfumes, colognes, soaps and cosmetics; musk aroma UNION CAMP CORPORATION (US) 1994-03-08 US disclosed
EP-0419074-B1 COMPOUND, PREPARATION AND USE ZENECA LIMITED (GB) 1993-09-15 EP disclosed
EP-0537909-A1 3-(Unsubstituted or substituted benzyl)-1-alkyl-2-oxocyclopentane carboxylic acid alkyl ester derivatives, and their preparation and use KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-04-21 EP disclosed
US-5082966-A SULPHINYL COMPOUNDS AND THEIR PREPARATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-21 US disclosed
EP-0419074-A1 Compound, preparation and use ZENECA LIMITED (GB) 1991-03-27 EP disclosed
US-4695647-A RADIOACTIVE MATERIALS DRUG SCIENCE FOUNDATION (US) 1987-09-22 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 KRAS 1640/4885FFAR3 1519/4885CYP1A2 423/4885
US-20200246362-A1 Arginase Inhibitors as Therapeutics ARG1, ARG2, PRMT1 KRAS 1640/4885FFAR3 1519/4885CYP1A2 423/4885
US-20060167281-A1 1,2,4- Trioxepanes as precursors for lactones CYP4X1, LSS, RIOX2 KRAS 4013/4885FFAR3 996/4885CYP1A2 201/4885
US-20200181095-A1 SELECTIVE MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP17, MMP16 KRAS 2919/4885FFAR3 4743/4885CYP1A2 1821/4885

“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.