SCHEMBL4128714

SCHEMBL4128714

COc1cccc(C2CCCCCC2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.57
CRBN Q96SW2 1/20 0.57
GID4 Q8IVV7 1/20 0.57
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP19A1 P11511 1/20 0.47
HTR2C P28335 2/20 0.47
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL182434 0.98 DDB1 (0.58) DDB1CRBNGID4NPC1MEN1
SCHEMBL317559 0.94 GID4 (0.63) DDB1CRBNGID4NPC1MEN1
SCHEMBL21286784 0.88 DDB1 (0.67) DDB1CRBNGID4NPC1MEN1
SCHEMBL6404794 0.85 SMN1; SMN2 (0.47) DDB1CRBNGID4RAB9AMAPT
SCHEMBL11534052 0.83 SMN1; SMN2 (0.46) DDB1CRBNGID4MEN1KMT2A
SCHEMBL10109186 0.83 MAPK1 (0.45) DDB1CRBNGID4MEN1KMT2A
SCHEMBL318339 0.83 MAPK1 (0.45) DDB1CRBNGID4MEN1KMT2A
SCHEMBL11873333 0.81 MAPK1 (0.55) DDB1CRBNNPC1MEN1KMT2A
SCHEMBL21452545 0.80 ADCYAP1R1 (0.47) DDB1CRBNGID4
SCHEMBL318066 0.80 MAPK1 (0.56) DDB1CRBNNPC1MEN1KMT2A

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-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 US disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
EP-1010689-B1 Substituted cycloheptenes, their preparation and use GRUENENTHAL GMBH (DE) 2003-01-15 EP disclosed
US-6323369-B1 AS ANALGESICS GRUENENTHAL GMBH (DE) 2001-11-27 US disclosed
EP-1010689-A1 Substituted cycloheptenes, their preparation and use Grünenthal GmbH (DE) 2000-06-21 EP disclosed
US-4219652-A N-Methyl and N-phenethyl-cis-decahydroisoquinolines ELI LILLY AND COMPANY (US) 1980-08-26 US disclosed
US-4100166-A Novel cis N-cyclopropylmethyl decahydroisoquinoline ELI LILLY AND COMPANY (US) 1978-07-11 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-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP DDB1 219/4885CRBN 2408/4885GID4 3449/4885

“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.