SCHEMBL17833744

SCHEMBL17833744

COc1cc(C)c(C(C)C)cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SRD5A1 P18405 2/20 0.45
SRD5A2 P31213 2/20 0.45
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL15218612 0.88 MAPT (0.46) MAPTMAPK1TDP1L3MBTL1HPGD
SCHEMBL20562834 0.87 CHRNA7 (0.46) CHRNA7MAPTMAPK1TDP1L3MBTL1
SCHEMBL17833747 0.84 CHRNA7 (0.46) CHRNA7HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL17833748 0.83 HPGD (0.50) CHRNA7MAPTHPGDNPC1RAB9A
SCHEMBL25906396 0.81 MAPT (0.45) MAPTMAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL25146420 0.81 MAPK1 (0.53) MAPTMAPK1TDP1L3MBTL1HPGD
SCHEMBL12556342 0.80 LIPE (0.55) MAPTMAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL4566984 0.79 MCL1 (0.54) MAPTTDP1L3MBTL1SMN1; SMN2CTSV
SCHEMBL4566994 0.79 GLRA1 (0.44) MAPTMAPK1TDP1L3MBTL1HPGD
SCHEMBL21070386 0.79 CHRNA7 (0.49) CHRNA7MAPTMAPK1TDP1L3MBTL1

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
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9518022-B2 Anti-HIV compounds PROSETTA ANTIVIRAL INC. (US) 2016-12-13 US disclosed
US-20160168100-A1 ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 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 (4 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT CHRNA7 4713/4885MAPT 1106/4885MAPK1 3695/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT CHRNA7 4713/4885MAPT 1106/4885MAPK1 3695/4885
US-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 CHRNA7 4645/4885MAPT 587/4885MAPK1 3005/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT CHRNA7 4713/4885MAPT 1106/4885MAPK1 3695/4885

“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.