SCHEMBL17833748

SCHEMBL17833748

CCc1cc(OC)c(OCc2ccccc2)cc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SRD5A1 P18405 2/20 0.48
SRD5A2 P31213 2/20 0.48
CHRNA7 P36544 2/20 0.48
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GLRA1 P23415 1/20 0.45
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL17833744 0.83 CHRNA7 (0.47) HPGDNPC1RAB9ASMN1; SMN2SRD5A1
SCHEMBL17833747 0.82 CHRNA7 (0.46) HPGDNPC1RAB9ASMN1; SMN2SRD5A1
SCHEMBL29025569 0.80 KMT2A (0.61) HPGDNPC1RAB9ASMN1; SMN2SRD5A1
SCHEMBL25146420 0.78 MAPK1 (0.53) HPGDRAB9ASMN1; SMN2GLRA1ALDH1A1
SCHEMBL15218612 0.77 MAPT (0.46) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL8793707 0.76 ABCB1 (0.51) HPGDNPC1RAB9ASMN1; SMN2SRD5A1
SCHEMBL16271509 0.76 CTSV (0.45) HPGDNPC1RAB9ASMN1; SMN2CTSV
SCHEMBL27013801 0.75 ALOX5 (0.54) NPC1RAB9AGLRA1MEN1KMT2A
SCHEMBL4984703 0.74 KMT2A (0.61) HPGDNPC1RAB9ASMN1; SMN2CHRNA7
SCHEMBL31564828 0.74 HPGD (0.52) HPGDNPC1RAB9ASMN1; SMN2SRD5A1

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 HPGD 1172/4885NPC1 245/4885RAB9A 1408/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT HPGD 1172/4885NPC1 245/4885RAB9A 1408/4885
US-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 HPGD 2546/4885NPC1 96/4885RAB9A 1437/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT HPGD 1172/4885NPC1 245/4885RAB9A 1408/4885

“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.