SCHEMBL790619

SCHEMBL790619

CC(C)c1ccc(OCc2cc[c]o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 8/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.46
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
FKBP1A P62942 1/20 0.37
MAPK1 P28482 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL791682 0.81 NQO1 (0.50) RAB9ANPC1KDM4EPOLBL3MBTL1
SCHEMBL13160063 0.71 RXRA (0.72) RAB9ANPC1KDM4EPOLBL3MBTL1
SCHEMBL12279053 0.71 RXRA (0.72) RAB9ANPC1KDM4EPOLBL3MBTL1
SCHEMBL11951583 0.70 KMT2A (0.45) RAB9ANPC1KDM4EPOLBRXRA
SCHEMBL9946032 0.69 RXRA (0.64) RAB9ANPC1KDM4EPOLBL3MBTL1
SCHEMBL9946062 0.69 RXRA (0.64) RAB9ANPC1KDM4EPOLBL3MBTL1
SCHEMBL317653 0.69
SCHEMBL10824702 0.68 KMT2A (0.59) RAB9ANPC1KDM4EPOLBRXRA
SCHEMBL9946090 0.68 PARP10 (0.55) RAB9ANPC1KDM4EPOLBL3MBTL1
SCHEMBL14579978 0.67 KMT2A (0.46) RAB9ANPC1KDM4EPOLBRXRA

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
EP-2616459-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS I BASF SE (DE) 2016-05-04 EP disclosed
US-8609700-B2 Pyridine compounds for controlling invertebrate pests I BASF SE (DE) 2013-12-17 US disclosed
EP-2616459-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS I BASF SE (DE) 2013-07-24 EP disclosed
US-20130178502-A1 Pyridine Compounds for Controlling Invertebrate Pests I BASF SE (DE) 2013-07-11 US disclosed
WO-2012034961-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS I BASF SE (DE) 2012-03-22 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 (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-20130178502-A1 Pyridine Compounds for Controlling Invertebrate Pests I GRIN2A, PRXL2A, MT-CO2 RAB9A 977/4885NPC1 3099/4885KDM4E 2841/4885

“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.