SCHEMBL2512151

SCHEMBL2512151

COC=CCc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
ELANE P08246 2/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ACHE P22303 2/20 0.46
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.44
SRD5A2 P31213 2/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 2/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL1781025 0.80 MAOB (0.61) ATMALDH1A1HTT
SCHEMBL625599 0.80 MAOB (0.61) ATMALDH1A1HTT
SCHEMBL8180714 0.80 LOXL2 (0.56) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL8180716 0.80 LOXL2 (0.56) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL10864400 0.78 IDO1 (0.47) ALDH1A1HTTRAB9AGAAKMT2A
SCHEMBL4327902 0.77 ALDH1A1 (0.58) ATMELANEALDH1A1HTTSMN1; SMN2
SCHEMBL28207217 0.77 ALDH1A1 (0.48) ATMALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL7111353 0.75 PAM (0.52) ALDH1A1SMN1; SMN2ACHEMAPTSRD5A2
SCHEMBL474925 0.74 ALDH1A1 (0.57) ATMELANEALDH1A1HTTSMN1; SMN2
SCHEMBL11472200 0.74 ATM (0.66) ATMELANEALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017596-B2 Phosphonates useful as modulators of T-γ-9-δ-2 activity INNATE PHARMA, S.A. (FR) 2011-09-13 US disclosed
US-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity LABORATOIRES MAYOLY SPINDLER (FR) 2010-08-12 US disclosed
US-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity MONTERO JEAN-LOUIS 2006-10-26 US disclosed
EP-1453840-A1 PHOSPHONATES USEFUL AS MODULATORS OF T-GAMMA-9-DELTA-2 LYMPHOCYTE ACTIVITY Laboratoire Mayoly Spindler (FR) 2004-09-08 EP disclosed
WO-2003050128-A1 PHOSPHONATES USEFUL AS MODULATORS OF T $G(G)9$G(D)2 LYMPHOCYTE ACTIVITY LABORATOIRE MAYOLY SPINDLER (FR) 2003-06-19 WO 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-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity CD4, PRKCD, PRKCZ ATM 3245/4885ELANE 3363/4885ALDH1A1 4279/4885
US-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity CD4, GNG2, PLCG2 ATM 3131/4885ELANE 3345/4885ALDH1A1 4789/4885

“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.