SCHEMBL17344786

SCHEMBL17344786

CC(C)C1=C(C(C)C)OCc2ccccc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
HK1 P19367 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
HTR5A P47898 5/20 0.33
MAPK13 O15264 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
SCHEMBL17344768 0.83 ALOX15 (0.32)
SCHEMBL17344772 0.77 ALOX15 (0.34) HTR5AMAOAMAOBGAAOXTR
SCHEMBL2008333 0.69 ALOX5 (0.54) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL17349230 0.68 NPC1 (0.38) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL3993853 0.67 MAPT (0.50) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL464780 0.67 AHR (0.50) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL12589264 0.67 MMP12 (0.33) MAPT
SCHEMBL10061675 0.67 MAPT (0.41) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL8872240 0.66 MAOA (0.50) MAPTNPC1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL10918416 0.66 AHR (0.48) MAPTNPC1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA MAPT 3234/4885NPC1 994/4885KDM4E 546/4885

“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.