SCHEMBL4230107

SCHEMBL4230107

CC1Cc2cccc(C=O)c2O1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.54
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.41
CREBBP Q92793 6/20 0.41
BRD4 O60885 5/20 0.41
HTR1A P08908 4/20 0.39
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CCR8 P51685 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4596693 0.78 CREBBP (0.62) PARP1MAOAMAOBCREBBPBRD4
SCHEMBL5544990 0.77 PARP1 (0.58) PARP1MAOAMAOBSMN1; SMN2CREBBP
SCHEMBL7826166 0.75 ALDH1A1 (0.47) PARP1ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL19122972 0.74 PARP1 (0.56) PARP1MAOAMAOBALDH1A1KDM4E
SCHEMBL13074639 0.74 PARP1 (0.56) PARP1MAOAMAOBALDH1A1KDM4E
SCHEMBL10264723 0.74 PARP1 (0.55) PARP1MAOAMAOBCREBBPBRD4
SCHEMBL6360371 0.73 ALDH1A1 (0.46) PARP1MAOAMAOBALDH1A1GAA
SCHEMBL18181803 0.73 PARP1 (0.58) PARP1MAOAMAOBALDH1A1KDM4E
SCHEMBL5544997 0.73 MAOA (0.62) PARP1MAOAMAOBHTR1A
SCHEMBL18474153 0.73 PARP1 (0.54) PARP1MAOAMAOBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
EP-1926730-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2008-06-04 EP disclosed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 WO disclosed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 WO disclosed
EP-0826684-B1 PIPERIDINE DERIVATIVES HISAMITSU PHARMACEUTICAL CO (JP) 2001-11-21 EP disclosed
US-5886011-A TACHYKININ UNDECAPEPTIDE ANTAGONIST, USEFUL FOR TREATING ASTHMA, OR REMEDY FOR DISEASES ASSOCIATED WITH CENTRAL NERVOUS SYSTEM, DIGESTIVE SYSTEM AND CIRULATORY STYSTEM, AND VARIETY OF PAINS OR INFLAMMATION HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1999-03-23 US disclosed
EP-0826684-A1 PIPERIDINE DERIVATIVES Hisamitsu Pharmaceutical Co., Inc. (JP) 1998-03-04 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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR10 PARP1 1242/4885MAOA 4855/4885MAOB 4671/4885

“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.