SCHEMBL8256334

SCHEMBL8256334

NCC1(O)c2ccccc2C=Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
PKM P14618 2/20 0.51
HTR2A P28223 5/20 0.38
KIF11 P52732 5/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SCN4A P35499 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
PDK2 Q15119 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
BCHE P06276 1/20 0.30
POLB P06746 1/20 0.30

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
Hydrochloric Acid SCHEMBL11776858 0.98 KDM4E (0.50) KDM4EPKMHTR2AKIF11MAPT
Benzoic Acid SCHEMBL11773028 0.86 TSHR (0.45) KDM4EPKMKIF11MAPTGAA
SCHEMBL11778850 0.85 KDM4E (0.41) KDM4EPKMHTR2AKIF11PDK2
SCHEMBL11777445 0.81 KDM4E (0.41) KDM4EPKMKIF11TAAR1PDK2
SCHEMBL7326617 0.78 KDM4E (0.56) KDM4EPKMKIF11MAPTGAA
SCHEMBL11773946 0.78 KDM4E (0.47) KDM4EPKMHTR2AKIF11MAPT
SCHEMBL11816306 0.75 KDM4E (0.45) KDM4EPKMKIF11
SCHEMBL7827435 0.74 PKM (0.47) KDM4EPKMKIF11MAPTALDH1A1
SCHEMBL11616386 0.74 KDM4E (0.47) KDM4EPKMKIF11MAPTGAA
SCHEMBL11777057 0.74 KDM4E (0.51) KDM4EPKMHTR2AKIF11MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807841-B2 Spiro-containing compounds and compositions as modulators of steroid hormone nuclear receptors IRM LLC (BM) 2010-10-05 US disclosed
US-7807841-B2 Spiro-containing compounds and compositions as modulators of steroid hormone nuclear receptors IRM LLC (BM) 2010-10-05 US disclosed
US-20090124597-A1 SPIRO-CONTAINING COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-05-14 US disclosed
US-20090124597-A1 SPIRO-CONTAINING COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-05-14 US disclosed
WO-2006104594-A2 SPIRO-CONTAINING COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-10-05 WO disclosed
US-3994918-A ANTICONVULSANTS, TRANQUILIZERS SANDOZ, INC. (US) 1976-11-30 US disclosed
US-3868463-A Method of treating arrhythmia REMY DAVID C 1975-02-25 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-20090124597-A1 SPIRO-CONTAINING COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR3C2, NR5A1, ESRRA KDM4E 4170/4885PKM 1645/4885HTR2A 1603/4885

“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.