SCHEMBL4173665

SCHEMBL4173665

O=C([N]c1ccccc1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39
ELANE P08246 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
RECQL P46063 1/20 0.38
CETP P11597 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
RIPK1 Q13546 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL3184732 0.98 HPGD (0.49) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL4154113 0.96 HPGD (0.43) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL4159489 0.92 AKR1C3 (0.41) HPGDLMNAELANESMN1; SMN2GAA
SCHEMBL4159720 0.81 NPC1 (0.41) HPGDLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL4158555 0.79 NPSR1 (0.51) LMNAGAANPC1EPHX2RAB9A
SCHEMBL4163322 0.77 L3MBTL1 (0.41) HPGDALDH1A1SMN1; SMN2GAANPC1
SCHEMBL4159491 0.75 GAA (0.49) GAANPC1RAB9A
SCHEMBL4170402 0.74 P2RX7 (0.45) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL4165738 0.72 ALDH1A1 (0.47) HPGDLMNAUSP2ALDH1A1SMN1; SMN2
SCHEMBL4152944 0.71 P2RX7 (0.42) HPGDLMNAHDAC1HDAC2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 US disclosed
US-7423172-B2 Tyrosine derivatives as PPAR-γ-modulators LABORATORIOS SALVAT, S.A. (ES) 2008-09-09 US disclosed
US-20070276043-A1 Tyrosine Derivatives As Ppar-Gamma-Modulators LABORATORIES SALVAT, S.A. (ES) 2007-11-29 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 (2 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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 HPGD 2200/4885LMNA 4048/4885HDAC3 439/4885
US-20070276043-A1 Tyrosine Derivatives As Ppar-Gamma-Modulators PPARG, PPARD, PPARA HPGD 1667/4885LMNA 3937/4885HDAC3 441/4885

“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.