SCHEMBL5212420

SCHEMBL5212420

COC(=O)CCc1oc(C2CCCCC2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
FAAH O00519 3/20 0.43
CNR1 P21554 5/20 0.42
ALOX15B O15296 1/20 0.42
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ADCY1 Q08828 1/20 0.41
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5207941 0.87 RXRA (0.47) ALDH1A1MAPTHPGDCNR1ALOX15B
SCHEMBL5211184 0.86 ALDH1A1 (0.44) ALDH1A1CNR1ALOX15BADCY1PLA2G1B
SCHEMBL1362553 0.81 CYP11B1 (0.43) ALDH1A1MAPTRAB9ANPC1L3MBTL1
SCHEMBL10833120 0.79 ALDH1A1 (0.43) ALDH1A1MAPTPTGDR2RAB9ANPC1
SCHEMBL6603521 0.78 CYP11B1 (0.41) ALDH1A1MAPTRAB9ANPC1L3MBTL1
SCHEMBL6605761 0.78 CYP11B1 (0.41) ALDH1A1MAPTMEN1KMT2A
SCHEMBL5211798 0.77 CHRM1 (0.40) MAPTCNR1ADCY1MEN1KMT2A
SCHEMBL5206850 0.77 RXRA (0.46) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5211537 0.76 RXRA (0.47) ALDH1A1MAPTFAAHMEN1KMT2A
SCHEMBL5211795 0.75 ADCY1 (0.38) ALDH1A1MAPTCNR1ALOX15BADCY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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 (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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 ALDH1A1 1651/4885MAPT 3958/4885HPGD 958/4885

“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.