SCHEMBL4525957

SCHEMBL4525957

CC(C)(C=CC(=O)O)N1CCC(Cc2c(Cl)cccc2Cl)C1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 3/20 0.34
CYP3A4 P08684 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
P2RX7 Q99572 4/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
ROCK2 O75116 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4525954 1.00 ALDH1A1 (0.35) ALDH1A1HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL13674400 0.86 KDM4E (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL4525765 0.83 ALDH1A1 (0.34) ALDH1A1HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL4500089 0.79 ALDH1A1 (0.36) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL4524379 0.79 ALDH1A1 (0.35) ALDH1A1HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL4503420 0.78 HTR2A (0.35) ALDH1A1SMN1; SMN2CYP3A4P2RX7KDM4E
SCHEMBL4515486 0.72 KDM4E (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL4500236 0.69 HSD11B1 (0.44) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4509814 0.67 SIGMAR1 (0.44) ALDH1A1KMT2AMEN1LMNASIGMAR1
SCHEMBL4505857 0.67 HSD11B1 (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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 (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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 ALDH1A1 51/4885HPGD 63/4885KMT2A 2379/4885

“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.