SCHEMBL6370552

SCHEMBL6370552

CC(Oc1ccc(C(C)(C)C)cn1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.36
ACACB O00763 1/20 0.36
LIPE Q05469 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
GPR88 Q9GZN0 1/20 0.33
CNR2 P34972 5/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
THRB P10828 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
SCHEMBL17358383 0.83 POLB (0.41) KDM4EPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL6371873 0.82 ACACB (0.48) KDM4EPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL14925205 0.81 KDM4E (0.42) KDM4EPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL23600940 0.79 CCR1 (0.38) KDM4EACACBLIPEGPR88GABRA1
SCHEMBL29499578 0.79 LIPE (0.36) KDM4ETSHRSMN1; SMN2HPGDACACB
SCHEMBL11289 0.78 KDM4E (0.44) KDM4EPOLBRAB9ALIPEKMT2A
SCHEMBL23116138 0.78 THRB (0.36) KDM4EACACBLIPEGPR88CNR2
SCHEMBL22711899 0.78 THRB (0.36) KDM4EACACBLIPEGPR88CNR2
SCHEMBL10363 0.78 KDM4E (0.44) KDM4EPOLBRAB9ALIPEKMT2A
SCHEMBL24721014 0.78 LIPE (0.36) SMN1; SMN2ACACBLIPELMNAGPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 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 (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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 KDM4E 3841/4885POLB 4167/4885RAB9A 2153/4885

“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.