SCHEMBL4652896

SCHEMBL4652896

CSc1ccc(C(=O)O)c2cc(C)oc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.36
SLC22A12 Q96S37 2/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
APEX1 P27695 2/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.36
GPR35 Q9HC97 2/20 0.34
TTR P02766 2/20 0.34
KAT8 Q9H7Z6 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
AR P10275 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL4652894 0.86 NPC1 (0.33) ALDH1A1MAPTNPC1RAB9ATAS1R3
SCHEMBL21951086 0.78 ALDH1A1 (0.34) ALDH1A1MAPTNPC1RAB9A
SCHEMBL29164213 0.78 KDM4E (0.42) XDHSLC22A12ALDH1A1POLBAPEX1
SCHEMBL2635842 0.78 RARA (0.46) XDHSLC22A12ALDH1A1TTRNPC1
SCHEMBL2057197 0.78 RARA (0.40) XDHSLC22A12ALDH1A1GPR35TTR
SCHEMBL73952 0.75 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9A
SCHEMBL2635958 0.74 CYP1A1 (0.43) XDHSLC22A12ALDH1A1
SCHEMBL29243208 0.73 GPR35 (0.47) ALDH1A1POLBMAPTGPR35NPC1
SCHEMBL4652898 0.72
SCHEMBL4652901 0.72

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
EP-1352901-B1 Process for the preparation of cyclic diketones SYNGENTA PARTICIPATIONS AG (CH) 2008-10-01 EP disclosed
US-7135574-B2 Converting substituted mono or bicyclic lactones in presence of an amine base and a catalytic amount of a cyanide or alkali or alkaline metal alcoholate, to a salt, reacting the salt with carbonyl compound containing an organic substituent SYNGENTA CROP PROTECTION, INC. (US) 2006-11-14 US disclosed
US-20050159314-A1 Process for the preparation of cyclic diketones SCHNEIDER HERMANN (CH) 2005-07-21 US disclosed
US-6855831-B2 Process for the preparation of cyclic diketones SYNGENTA CROP PROTECTION, INC. (US) 2005-02-15 US disclosed
US-20030199708-A1 Process for the preparation of cyclic diketones SYNGENTA CROP PROTECTION, INC. 2003-10-23 US disclosed
EP-1352901-A2 Process for the preparation of cyclic diketones Syngenta Participations AG (CH) 2003-10-15 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-20030199708-A1 Process for the preparation of cyclic diketones XDH, NDUFS6, SQOR XDH 1/4885SLC22A12 2322/4885ALDH1A1 1681/4885
US-20050159314-A1 Process for the preparation of cyclic diketones NDUFS6, NDUFS4, NDUFV1 XDH 47/4885SLC22A12 2984/4885ALDH1A1 1935/4885

“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.