SCHEMBL3844760

SCHEMBL3844760

CCOC(=O)C(C)(C)C(=O)CBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TRPA1 O75762 1/20 0.48
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
PKM P14618 3/20 0.38
MMP8 P22894 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARA Q07869 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL2443587 0.82 SOAT1 (0.44) ALDH1A1CYP4F2CYP4A11PKMMMP8
SCHEMBL1562023 0.81 ALDH1A1 (0.50) ALDH1A1TRPA1CYP4F2CYP4A11PKM
SCHEMBL13917988 0.79 ALDH1A1 (0.45) ALDH1A1TRPA1CYP4F2CYP4A11PKM
Hydrochloric Acid SCHEMBL5446995 0.79 ALDH1A1 (0.48) ALDH1A1TRPA1CYP4F2CYP4A11PKM
SCHEMBL18799245 0.78 CYP4F2 (0.40) ALDH1A1CYP4F2CYP4A11PKMMMP8
SCHEMBL3576946 0.77 DGAT1 (0.48) ALDH1A1TRPA1TSHR
SCHEMBL6619664 0.77 ALDH1A1 (0.46) ALDH1A1TRPA1CYP4F2CYP4A11PKM
Hydrochloric Acid SCHEMBL3845860 0.77 ALOX15 (0.39) ALDH1A1CYP4F2CYP4A11PKMMMP8
Butane SCHEMBL11358505 0.77 ALDH1A1 (0.46) ALDH1A1TRPA1CYP4F2CYP4A11PKM
SCHEMBL180091 0.75 TRPA1 (0.44) ALDH1A1TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025030117-A1 FERROPTOSIS INDUCERS ARPEGGIO BIOSCIENCES, INC. (US) 2025-02-06 WO disclosed
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
EP-3911652-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS Biogen MA Inc. (US) 2021-11-24 EP disclosed
EP-3860980-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
CN-113166062-A 8-aminoisoquinoline compounds and uses thereof 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
WO-2007085729-A2 NOVEL METHOD FOR SYNTHESIS OF 1,4-MORPHOLINE-2,5-DIONES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2007-08-02 WO disclosed
EP-0979231-B1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-11-24 EP disclosed
EP-1123936-B1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-12-10 EP disclosed
US-6627630-B1 Preventing or treating allergic skin diseases such as contact dermatitis, pruritus, dried dermatitis, acute urticaria prurigo and antiallergins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1243271-A1 NASAL DROPS CONTAINING FUSED PYRIDAZINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
EP-1123936-A1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed
US-6248740-B1 FOR SUPPRESSION OF HISTAMINE OR EOSINOPHIL CHEMOTAXIS TO TREAT ASTHMA; ANTIALLERGENIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0979231-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998049167-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed
US-4331674-A Combating fungi with 4-phenoxy-4-(azolyl-1-yl)-butanoic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 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 (3 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-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 ALDH1A1 3407/4885TRPA1 4880/4885CYP4F2 1129/4885
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof PHKG1, MAP4K5, HIPK1 ALDH1A1 3407/4885TRPA1 4880/4885CYP4F2 1129/4885
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 ALDH1A1 1657/4885TRPA1 1787/4885CYP4F2 2194/4885

“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.