SCHEMBL16202083

SCHEMBL16202083

Cc1ccc(-n2cc(C)c(C)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.47
GPR35 Q9HC97 1/20 0.47
GPR55 Q9Y2T6 3/20 0.44
NOTUM Q6P988 2/20 0.44
ADORA3 P0DMS8 4/20 0.42
CNR2 P34972 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
KMT2A Q03164 3/20 0.41
ADORA1 P30542 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL16202074 0.83 CNR1 (0.47) CNR1GPR35GPR55NOTUMADORA3
SCHEMBL2611844 0.83 NPC1 (0.44) NOTUMADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL24185328 0.83 PTGS2 (0.44) CNR1GPR55CNR2NPC1RAB9A
SCHEMBL5341410 0.83 RAB9A (0.50) CNR1GPR55ADORA3CNR2NPC1
Ammonia Solution, Strong SCHEMBL28029770 0.81 RAB9A (0.49) CNR1GPR55ADORA3CNR2NPC1
SCHEMBL23399106 0.81 NPC1 (0.47) CNR1GPR35GPR55NOTUMADORA3
SCHEMBL13806032 0.80 ALDH1A1 (0.43) CNR1GPR35GPR55NOTUMADORA3
SCHEMBL16202084 0.80 NPC1 (0.44) ADORA3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23402828 0.79 NPC1 (0.54) CNR1GPR35GPR55NOTUMADORA3
SCHEMBL16202085 0.79 NOTUM (0.47) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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 (5 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 CNR1 2644/4885GPR35 3694/4885GPR55 3506/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 CNR1 2619/4885GPR35 3801/4885GPR55 3573/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 CNR1 2619/4885GPR35 3801/4885GPR55 3573/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB CNR1 2770/4885GPR35 4166/4885GPR55 3255/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB CNR1 2770/4885GPR35 4166/4885GPR55 3255/4885

“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.