SCHEMBL16202089

SCHEMBL16202089

Cc1ccc(-n2cc(C)c(C)n2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.42
OPRM1 P35372 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.36
AMY1A P0DUB6 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
COMT P21964 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
TP53 P04637 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
MAPT P10636 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34

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
SCHEMBL16983104 0.81 MAPK14 (0.41) KDM4EOPRM1ALDH1A1LMNAPOLB
SCHEMBL22902145 0.81 KDM4E (0.41) KDM4ENPSR1OPRM1ALDH1A1LMNA
SCHEMBL17066473 0.73 TDO2 (0.47) KDM4ENPSR1ALDH1A1LMNAHCAR1
SCHEMBL10262764 0.73 ALDH1A1 (0.56) KDM4ENPSR1OPRM1ALDH1A1LMNA
SCHEMBL5344492 0.73 LMNA (0.46) OPRM1LMNAHTT
SCHEMBL16202086 0.73 MEN1 (0.45) KDM4EOPRM1ALDH1A1HTTTDP1
SCHEMBL17666284 0.72 LRRK2 (0.50) KDM4ENPSR1ALDH1A1LMNAAMY1A
SCHEMBL14305536 0.70 KDM4E (0.41) KDM4ENPSR1OPRM1ALDH1A1LMNA
SCHEMBL27130288 0.70 CCR1 (0.45) KDM4EALDH1A1LMNACCR1CCR5
SCHEMBL11827724 0.70 KDM4E (0.40) KDM4EALDH1A1LMNAPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
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-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 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 (6 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 KDM4E 4284/4885NPSR1 1862/4885OPRM1 4732/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 KDM4E 3917/4885NPSR1 1877/4885OPRM1 4754/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 KDM4E 3917/4885NPSR1 1877/4885OPRM1 4754/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB KDM4E 3206/4885NPSR1 2595/4885OPRM1 4417/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 KDM4E 762/4885NPSR1 2160/4885OPRM1 3356/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB KDM4E 3206/4885NPSR1 2595/4885OPRM1 4417/4885

“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.