SCHEMBL7057548

SCHEMBL7057548

C=CCC1(C(=O)O)CCN(C(=O)O)CC1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 1/20 0.35
TET3 O43151 1/20 0.35
KMT2A Q03164 1/20 0.35
FBXL19 Q6PCT2 1/20 0.35
CXXC5 Q7LFL8 1/20 0.35
TET1 Q8NFU7 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
CXXC4 Q9H2H0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM1A O60341 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
CTSF Q9UBX1 1/20 0.34

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
SCHEMBL5764584 0.84 FAAH (0.35) TGM2FAAHBCHE
SCHEMBL5764582 0.77 JAK2 (0.41) KMT2ANPC1RAB9ACYP2C19
SCHEMBL5768278 0.77 JAK2 (0.41) KMT2ANPC1RAB9ACYP2C19
SCHEMBL5764872 0.77 JAK2 (0.41) KMT2ANPC1RAB9ACYP2C19
SCHEMBL4615941 0.76 OPRK1 (0.51) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2706511 0.75 OPRD1 (0.40) KDM1ANPC1RAB9ASMN1; SMN2CTSV
SCHEMBL23527973 0.74 DPP4 (0.40) KMT2AKDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL23528036 0.74 CTSL (0.42) NPC1RAB9ASMN1; SMN2CTSVCTSL
SCHEMBL4602481 0.73 NPSR1 (0.42) NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL7093752 0.73 TET3 (0.30) TET3KMT2AFBXL19CXXC5TET1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A TEAD3 3989/4885TET3 4276/4885KMT2A 2954/4885

“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.