SCHEMBL1982148

SCHEMBL1982148

CC1(C)OB(c2cc([N+](=O)[O-])c3occc3c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 11/20 0.36
LIPG Q9Y5X9 11/20 0.36
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16426143 0.77 LIPG (0.41) LPLLIPGCA1CA2CA9
SCHEMBL1065688 0.77 TSHR (0.35) LPLLIPGCA1CA2CA9
SCHEMBL14746341 0.76 LIPG (0.40) LPLLIPGCA1CA2CA9
SCHEMBL16426151 0.76 LIPG (0.40) LPLLIPGCA1CA2CA9
SCHEMBL13734193 0.76 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL14158127 0.74 ALDH1A1 (0.56) LPLLIPGCA1CA2CA9
SCHEMBL1986923 0.74 LPL (0.33) LPLLIPGCA1CA2CA9
SCHEMBL30919410 0.73 LPL (0.38) LPLLIPGCA1CA2CA9
SCHEMBL30919411 0.73 LPL (0.38) LPLLIPGCA1CA2CA9
SCHEMBL18876048 0.73 TSHR (0.47) LMNATSHRALDH1A1SMN1; SMN2GPR35

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-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
EP-2338887-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2011-06-29 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-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, PON1, CBR1 LPL 1307/4885LIPG 1339/4885CA1 1598/4885

“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.