SCHEMBL986207

SCHEMBL986207

CC1(C)OB(c2ccccc2OCC2CC2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
HTR2C P28335 5/20 0.42
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE5A O76074 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL981760 0.85 HTR2C (0.45) RIPK1HTR2CLPLLIPGHTR2A
SCHEMBL983516 0.83 HTR2C (0.47) RIPK1HTR2CLPLLIPGPDE4A
SCHEMBL984993 0.82 CNR2 (0.35) RIPK1HTR2CPDE4BHTR2AHTR2B
SCHEMBL20154965 0.81 HTR2C (0.36) RIPK1HTR2CHTR2AHTR2BCNR2
SCHEMBL15717180 0.81 CHRNB4 (0.41) RIPK1PDE4DCNR2CNR1
SCHEMBL984008 0.80 PDE4B (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL1438795 0.80 LPL (0.35) HTR2CLPLLIPGPDE4APDE4B
SCHEMBL985236 0.80 TDP1 (0.39) RIPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL23680880 0.80 ALDH1A1 (0.43) HTR2CALDH1A1GLALPLLIPG
SCHEMBL18174184 0.80 LPL (0.40) ALDH1A1LPLLIPGSLC6A4

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-20190076541-A1 HETEROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 Theraprutics, Inc. (US) 2019-03-14 US disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A RIPK1 4501/4885HTR2C 1834/4885ALDH1A1 924/4885
US-20190076541-A1 HETEROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION CRBN, MDM2, STUB1 RIPK1 391/4885HTR2C 897/4885ALDH1A1 4029/4885

“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.