SCHEMBL4134840

SCHEMBL4134840

COC(OC)c1cc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.58
TSHR P16473 2/20 0.58
HCAR3 P49019 10/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
TTR P02766 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4125942 0.87 VCAM1 (0.55) LMNAMAPTMEN1HPGDKMT2A
SCHEMBL3365438 0.86 MAPK1 (0.58) CASP6TSHRLMNAMAPTHPGD
SCHEMBL17576549 0.83 CASP6 (0.64) CASP6TSHRHCAR3LMNAMEN1
SCHEMBL7712098 0.81 CASP6 (0.62) CASP6TSHRHCAR3LMNAMEN1
SCHEMBL29897190 0.81 CASP6 (0.66) CASP6TSHRHCAR3LMNA
SCHEMBL27980652 0.80 CASP6 (0.65) CASP6TSHRHCAR3LMNAMEN1
SCHEMBL18394225 0.80 CASP6 (0.64) CASP6TSHRHCAR3LMNA
SCHEMBL7141803 0.80 ALDH1A1 (0.43) TSHRMAPTALDH1A1
SCHEMBL30871388 0.80 CASP6 (0.69) CASP6TSHRHCAR3LMNA
SCHEMBL7706073 0.79 CASP6 (0.55) CASP6TSHRHCAR3LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO disclosed
US-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives AEBI JOHANNES (CH) 2005-01-27 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 (3 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 CASP6 313/4885TSHR 4648/4885HCAR3 2952/4885
US-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 CASP6 3190/4885TSHR 4280/4885HCAR3 299/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 CASP6 313/4885TSHR 4648/4885HCAR3 2952/4885

“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.