SCHEMBL381050

SCHEMBL381050

CC(=O)OCC=C(C)CCC=C(C)CBr

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.71
ALOX15 P16050 1/20 0.71
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
PGGT1B P53609 1/20 0.47
PTPN1 P18031 1/20 0.46
TRPV1 Q8NER1 2/20 0.43
KMT2A Q03164 1/20 0.41

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
SCHEMBL16485592 1.00 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL11806001 1.00 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL16673068 1.00 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL381049 1.00 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL8620391 1.00 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL11805997 1.00 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL5245886 0.89 ALDH1A1 (0.57) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL3055807 0.89 ALDH1A1 (0.57) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL3055805 0.89 ALDH1A1 (0.57) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL11410939 0.85 ALDH1A1 (0.96) ALDH1A1ALOX15FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407704-B2 Process of vitamin K2 derivatives preparation SIEC BADAWCZA LUKASIEWICZ-INSTYTUT CHEMII PRZEMYSLOWEJ IMIENIA PROFESORA IGNACEGO MOSCICKIEGO (PL) 2022-08-09 US disclosed
US-20210317060-A1 PROCESS OF VITAMIN K2 DERIVATIVES PREPARATION SIEC BADAWCZA LUKASIEWICZ-INSTYTUT CHEMII PRZEMYSLOWEJ IMIENIA PROFESORA IGNACEGO MOSCICKIEGO (PL) 2021-10-14 US disclosed
EP-2408447-A1 PRENYLATED BISPHOSPHONATES AS ANTI-TUBERCULOSIS AGENTS University of Iowa Research Foundation (US) 2012-01-25 EP disclosed
US-20100240612-A1 Prenylated Bisphosphonates as Anti-tuberculosis Agents UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2010-09-23 US disclosed
WO-2010108190-A1 PRENYLATED BISPHOSPHONATES AS ANTI-TUBERCULOSIS AGENTS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2010-09-23 WO disclosed
US-3939202-A MULTISTAGE TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JA) 1976-02-17 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 (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-20100240612-A1 Prenylated Bisphosphonates as Anti-tuberculosis Agents GGPS1, FDPS, DCTPP1 ALDH1A1 2663/4885ALOX15 1748/4885FNTA 8/4885
US-11407704-B2 Process of vitamin K2 derivatives preparation PROC, VKORC1, VKORC1L1 ALDH1A1 1623/4885ALOX15 2307/4885FNTA 656/4885
US-20210317060-A1 PROCESS OF VITAMIN K2 DERIVATIVES PREPARATION PROC, VKORC1, VKORC1L1 ALDH1A1 1623/4885ALOX15 2307/4885FNTA 656/4885

“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.