SCHEMBL2540704

SCHEMBL2540704

OCCCCCCCCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ARG2 P78540 1/20 0.30
CES2 O00748 1/20 0.30
LPAR1 Q92633 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
SCHEMBL574497 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL31077587 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL29475240 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7850747 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL292475 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL23014995 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL31077494 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL31077654 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL31077631 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL850045 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022065133-A1 METHOD FOR PRODUCING CARBONATE COMPOUND 国立大学法人神戸大学 2022-03-31 WO disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
EP-0245792-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC-ACID ESTERS BAYER AG (DE) 1991-06-12 EP disclosed
US-5004569-A Using phosphite containing oxetane groups as esterification catalyst BAYER AKTIENGESELLSCHAFT (DE) 1991-04-02 US disclosed
EP-0225574-B1 NOVEL 1,4-DIHYDROPYRIDINES CONTAINING FLUORINE, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER AG (DE) 1990-05-16 EP disclosed
US-4798840-A Coronary-active fluorine-containing 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1989-01-17 US disclosed
EP-0245792-A2 Process for the preparation of carboxylic-acid esters BAYER AG (DE) 1987-11-19 EP disclosed
CN-86108499-A 1 of novel fluorine, 4-dihydropyridine compounds and their preparation method and as the purposes of medicine 1987-07-15 CN disclosed
EP-0225574-A1 Novel 1,4-dihydropyridines containing fluorine, process for their preparation and their use as medicaments BAYER AG (DE) 1987-06-16 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 (2 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 LMNA 3909/4885ALDH1A1 3756/4885HSD17B10 836/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 LMNA 3913/4885ALDH1A1 2837/4885HSD17B10 923/4885

“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.