SCHEMBL3899508

SCHEMBL3899508

O=Cc1cccc(C#CCCO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
ASIC3 Q9UHC3 1/20 0.45
ALDH1A1 P00352 1/20 0.43
UNG P13051 1/20 0.40
EGFR P00533 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SRC P12931 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
FBP1 P09467 2/20 0.34
PTPRC P08575 1/20 0.34
PTPRG P23470 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK3 Q13003 1/20 0.34

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
SCHEMBL30688451 1.00 FFAR1 (0.50) FFAR1ASIC3ALDH1A1UNGEGFR
SCHEMBL2560355 0.86 FFAR1 (0.52) FFAR1ALDH1A1UNGEGFRSRC
SCHEMBL29622517 0.86 FFAR1 (0.52) FFAR1ALDH1A1UNGEGFRSRC
SCHEMBL9559955 0.82 FFAR1 (0.52) FFAR1ALDH1A1UNGHTR2CHTR2B
SCHEMBL493774 0.81 FFAR1 (0.45) FFAR1ALDH1A1
SCHEMBL10633500 0.80 FFAR1 (0.58) FFAR1ALDH1A1UNGSRCTRIM24
SCHEMBL9700186 0.80 KCNH2 (0.45) FFAR1ALDH1A1
SCHEMBL2562582 0.79 HRH3 (0.40) FFAR1ALDH1A1EGFRPTPRCPTPRG
SCHEMBL7680519 0.78 KCNH2 (0.48) FFAR1ALDH1A1
SCHEMBL10795164 0.78 KCNH2 (0.48) FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024531-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2024-07-02 US disclosed
US-12024531-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2024-07-02 US disclosed
US-12024531-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2024-07-02 US disclosed
CN-111491939-B Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2023-12-26 CN disclosed
US-20230133165-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2023-05-04 US disclosed
US-20230133165-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2023-05-04 US disclosed
US-20230133165-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2023-05-04 US disclosed
EP-3710457-B1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2022-08-03 EP disclosed
EP-3710457-A1 IMMUNOPROTEASOME INHIBITORS Principia Biopharma, Inc. (US) 2020-09-23 EP disclosed
CN-111491939-A Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2020-08-04 CN disclosed
US-20070072837-A1 Phenylalkynes APODACA RICHARD 2007-03-29 US disclosed
US-20060258859-A1 Phenylalkynes APODACA RICHARD 2006-11-16 US disclosed
EP-1567494-A1 METHODS FOR PREPARING PHENYLALKYNE DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2005-08-31 EP disclosed
US-6884803-B2 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-04-26 US disclosed
EP-1451167-A1 PHENYLALKYNES Ortho-McNeil Pharmaceutical, Inc. (US) 2004-09-01 EP disclosed
WO-2004050623-A1 METHODS FOR PREPARING PHENYLALKYNE DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 WO disclosed
US-20040002604-A1 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-01-01 US disclosed
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-31 US disclosed
WO-2003050099-A1 PHENYLALKYNES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
EP-0503079-A1 PYRIDAZINONE-SUBSTITUTED ETHYNYLPHENYL DERIVATIVE AND REMEDY FOR CIRCULATORY ORGAN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-09-16 EP 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-20060258859-A1 Phenylalkynes HRH2, HRH3, HNMT FFAR1 538/4885ASIC3 1203/4885ALDH1A1 207/4885
US-12024531-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 FFAR1 4739/4885ASIC3 4210/4885ALDH1A1 3436/4885
US-20230133165-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 FFAR1 4739/4885ASIC3 4210/4885ALDH1A1 3436/4885
US-20070072837-A1 Phenylalkynes HRH2, HRH3, HNMT FFAR1 538/4885ASIC3 1203/4885ALDH1A1 207/4885
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia HRH3, HRH2, HRH4 FFAR1 342/4885ASIC3 1625/4885ALDH1A1 1479/4885
US-20040002604-A1 Phenylalkynes HRH2, HRH3, HNMT FFAR1 538/4885ASIC3 1203/4885ALDH1A1 207/4885

“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.