SCHEMBL4568035

SCHEMBL4568035

COc1ccc2cc(CC(C)C)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.50
FLT3 P36888 5/20 0.48
PDGFRB P09619 2/20 0.48
PDGFRA P16234 1/20 0.48
CA2 P00918 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL15902409 0.87 LOXL2 (0.67) MTNR1AMTNR1BLOXL2FLT3PDGFRB
SCHEMBL5240839 0.81 MTNR1A (0.57) MTNR1AMTNR1BLOXL2FLT3PDGFRB
SCHEMBL23501875 0.80 LOXL2 (0.76) MTNR1AMTNR1BLOXL2FLT3PDGFRB
SCHEMBL22077861 0.80 MTNR1A (0.59) MTNR1AMTNR1BLOXL2FLT3PDGFRB
SCHEMBL30920584 0.80 LOXL2 (0.76) MTNR1AMTNR1BLOXL2FLT3PDGFRB
SCHEMBL11358126 0.77 MTNR1A (0.60) MTNR1AMTNR1BLOXL2FLT3PDGFRB
SCHEMBL19228606 0.77 LMNA (0.40) AHRITK
SCHEMBL4568033 0.76 CA2 (0.47) MTNR1AMTNR1BLOXL2FLT3PDGFRB
SCHEMBL23915892 0.76 MTNR1A (0.56) MTNR1AMTNR1BLOXL2FLT3PDGFRB
SCHEMBL23964356 0.76 MTNR1A (0.52) MTNR1AMTNR1BLOXL2FLT3PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MTNR1A 19/4885MTNR1B 14/4885LOXL2 405/4885

“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.