SCHEMBL16108917

SCHEMBL16108917

O=C(C(=O)C1CC1)c1cccc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 2/20 0.45
KAT6A Q92794 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
CNR1 P21554 3/20 0.43
MGLL Q99685 3/20 0.43
RELA Q04206 1/20 0.43
MAP4K4 O95819 1/20 0.41
KMO O15229 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
CTRC Q99895 1/20 0.40
SERPINE1 P05121 1/20 0.40
RHOA P61586 1/20 0.40

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
SCHEMBL17779977 0.87 KMO (0.55) KMO
SCHEMBL16108712 0.82 PARP1 (0.52) MGLL
SCHEMBL16108643 0.82 MAPT (0.47) RXRARXRBMAP4K4KMO
SCHEMBL17779987 0.80 KMO (0.50) CNR1MGLLKMO
SCHEMBL16108013 0.78 CES2 (0.60) MGLL
SCHEMBL16108333 0.78 RXFP1 (0.37) KAT6ARXRARXRBKMO
SCHEMBL16108140 0.77 PAX8 (0.47) KAT6A
SCHEMBL16109170 0.77 KMO (0.61) KMO
SCHEMBL16108159 0.77 CES2 (0.57) KAT6A
SCHEMBL16108592 0.76 MKNK1 (0.43) RXRARXRBKMORHOA

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-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US disclosed
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-02 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-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA BACE2, DNPEP, ACE SUCNR1 2994/4885KAT6A 2175/4885RXRA 4329/4885

“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.