SCHEMBL2468744

SCHEMBL2468744

CC(C)CC(OC(=O)c1ccc(F)cc1)C(CNC(=O)c1ccc(F)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX12 P18054 1/20 0.46
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CTSL P07711 2/20 0.44
MLYCD O95822 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MAPT P10636 2/20 0.39
NAMPT P43490 1/20 0.39
CASP3 P42574 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL2465651 0.89 HPGD (0.46) ALDH1A1SMN1; SMN2ALOX12HPGDNPSR1
SCHEMBL14243819 0.88 RAB9A (0.46) ALDH1A1SMN1; SMN2ALOX12HPGDNPSR1
SCHEMBL2465596 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ALOX12HPGDNPSR1
SCHEMBL2470781 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ALOX12HPGDNPSR1
SCHEMBL2539486 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2ALOX12HPGDNPSR1
SCHEMBL2464084 0.82 NPC1 (0.49) ALDH1A1SMN1; SMN2ALOX12HPGDNPSR1
SCHEMBL2467417 0.81 HPGD (0.47) ALDH1A1SMN1; SMN2ALOX12HPGDNPSR1
SCHEMBL2467776 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ALOX12HPGDNPSR1
SCHEMBL2469014 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ALOX12HPGDNPSR1
SCHEMBL2464573 0.78 NPC1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539378-B1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME GRACE W R & CO (US) 2018-06-06 EP disclosed
US-8466081-B2 Halogenated amide ester and internal electron donor with same DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-18 US disclosed
EP-2539378-A1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME Dow Global Technologies LLC (US) 2013-01-02 EP disclosed
US-20120322964-A1 Halogenated Amide Ester and Internal Electron Donor with Same DOW GLOBAL TECHNOLOGIES LLC (US) 2012-12-20 US disclosed
WO-2011106497-A1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-01 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 (1 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-20120322964-A1 Halogenated Amide Ester and Internal Electron Donor with Same NAT10, NAT1, NAA50 ALDH1A1 701/4885SMN1; SMN2 3716/4885ALOX12 249/4885

“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.