SCHEMBL2293797

SCHEMBL2293797

Fc1cccc(/C(=C/c2ccccc2Cl)CCl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TRPA1 O75762 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PARP1 P09874 1/20 0.37
USP2 O75604 1/20 0.36
GRIN2B Q13224 1/20 0.36
GPR52 Q9Y2T5 1/20 0.35

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
SCHEMBL2293804 1.00 NPC1 (0.50) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL3782388 0.88 MAPT (0.40) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL3782384 0.88 MAPT (0.40) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL5050582 0.83 MAPT (0.48) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL29966795 0.83 MAPT (0.48) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL28557804 0.83 MAPT (0.48) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL5050581 0.83 MAPT (0.48) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL3770487 0.82 TRPA1 (0.38) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL3656662 0.82 TRPA1 (0.38) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL3776016 0.81 TRPA1 (0.39) NPC1MAPTRAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398370-B1 LONG-LASTING MOP ECOLAB INC (US) 2013-12-04 EP claimed
EP-1967171-B1 Production method of an adhesive patch TEIKOKU SEIYAKU KK (JP) 2012-06-13 EP claimed
EP-1059370-B1 Reduced shrinkage in metallocene isotactic polypropylene fibers TOTAL PETROCHEMICALS RES FELUY (BE) 2010-09-01 EP claimed
EP-1873292-B1 Multicomposite variable-density multilayer non-woven fabric and method for manufacturing it MARANGHI MARCO (IT) 2009-11-11 EP claimed
EP-1304218-B1 PLASTIC FILM FOR MEDICAL LIQUID CONTAINER FUJIMORI KOGYO CO LTD (JP) 2009-08-05 EP claimed
US-7994340-B2 Azolylmethyloxiranes, their use for controlling phytopathogenic fungi, and compositions comprising them BASF SE (DE) 2011-08-09 US disclosed
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-09 US disclosed
EP-2224812-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-09-08 EP disclosed
US-20100087321-A1 Azolylmethyloxiranes, their use for Controlling Phytopathogenic Fungi, and Compositions Comprising Them BASF SE (DE) 2010-04-08 US disclosed
EP-2096921-A1 AZOLYLMETHYLOXIRANES, THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI, AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2009-09-09 EP disclosed
WO-2009077471-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
WO-2008077724-A1 AZOLYLMETHYLOXIRANES, THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI, AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2008-07-03 WO 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-20100087321-A1 Azolylmethyloxiranes, their use for Controlling Phytopathogenic Fungi, and Compositions Comprising Them PAH, AKR1C4, NAT1 NPC1 2386/4885MAPT 4110/4885RAB9A 4527/4885
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, DAO, DHODH NPC1 4699/4885MAPT 3819/4885RAB9A 4197/4885

“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.