SCHEMBL16240841

SCHEMBL16240841

CC(C)(C)C1CCC(OC(=O)c2cc3c(C(F)(F)F)cc(-c4ccc(Cl)cc4Cl)cc3n2O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 3/20 0.46
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ CYP2C9 P11712 3/20 0.31
▸ CYP2C19 P33261 3/20 0.31
▸ GAA P10253 1/20 0.31
▸ CFTR P13569 1/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL15060018 0.89 LDHA (0.46) LDHAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL16241012 0.84 LDHA (0.66) LDHAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL15059011 0.83 LDHA (0.47) LDHAMAPTCYP2C9CYP2C19GAA
SCHEMBL16240393 0.82 LDHA (0.66) LDHASLC6A3HSD11B1CYP2C19CFTR
SCHEMBL16240315 0.82 LDHA (0.52) LDHAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16240325 0.80 LDHA (0.52) LDHASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12838 0.78 LDHA (0.65) LDHAKDM4EHSD11B1
SCHEMBL16240175 0.77 LDHA (0.48) LDHAKDM4EKMT2AHSD11B1CNR1
SCHEMBL16240031 0.77 LDHA (0.66) LDHAMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL15060081 0.77 LDHA (0.48) LDHAMAPTCYP2C9CYP2C19CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 — — US claimed
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 — — 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 (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-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) LDHA, LDHB, IDO1 LDHA 1/4885MAPT 691/4885SMN1; SMN2 4030/4885

“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.

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