SCHEMBL4500324

SCHEMBL4500324

COCOc1ccc(C)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
HPGD P15428 1/20 0.41
MCL1 Q07820 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 4/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL10218896 0.85 MCL1 (0.57) MCL1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL15114753 0.84 KDM4E (0.50) HTR2ASLC6A4KCNH2SMN1; SMN2LMNA
SCHEMBL26349351 0.83 DRD2 (0.55) DRD2DRD4DRD3HPGDMCL1
SCHEMBL10271335 0.82 HPGD (0.49) DRD2DRD4DRD3HPGDSMN1; SMN2
SCHEMBL17658992 0.81 MRGPRX4 (0.40) HPGDSLC6A4CYP3A4SMN1; SMN2MAPT
SCHEMBL6301020 0.80 NQO1 (0.52) DRD2DRD4DRD3HPGDMCL1
SCHEMBL1958623 0.79 TSHR (0.42) MCL1LMNAMAPTALDH1A1KDM4E
SCHEMBL19816715 0.79 MAPT (0.44) HTR2ASLC6A4KCNH2SMN1; SMN2MAPT
SCHEMBL27172043 0.79 KDM4E (0.36) HPGDMCL1SLC6A4KCNH2SMN1; SMN2
SCHEMBL30922427 0.79 CYP3A4 (0.42) DRD4HPGDCYP3A4SMN1; SMN2MAPT

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-20130184462-A1 METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-18 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 DRD2 4099/4885DRD4 3920/4885DRD3 3583/4885

“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.