SCHEMBL17833747

SCHEMBL17833747

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
GLRA1 P23415 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
SRD5A1 P18405 2/20 0.44
SRD5A2 P31213 2/20 0.44
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 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
SCHEMBL17833744 0.84 CHRNA7 (0.47) CHRNA7GLRA1SMN1; SMN2ALDH1A1HTT
SCHEMBL17833748 0.82 HPGD (0.50) CHRNA7GLRA1SMN1; SMN2ALDH1A1HTT
SCHEMBL25146420 0.80 MAPK1 (0.53) GLRA1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6131875 0.78 CHRNA7 (0.50) CHRNA7SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL15218612 0.78 MAPT (0.46) GLRA1SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL16271509 0.77 CTSV (0.45) GLRA1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8037003 0.76 ALDH1A1 (0.58) CHRNA7SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8041162 0.76 CTSV (0.60) SMN1; SMN2NPC1HPGDRAB9ACTSV
SCHEMBL31564828 0.75 HPGD (0.52) SMN1; SMN2ALDH1A1LMNAHTTNPC1
Hydrochloric Acid SCHEMBL11848159 0.75 MEN1 (0.40) GLRA1SMN1; SMN2KDM4EALDH1A1LMNA

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 4713/4885GLRA1 4682/4885SMN1; SMN2 4230/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT CHRNA7 4713/4885GLRA1 4682/4885SMN1; SMN2 4230/4885
US-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 CHRNA7 4645/4885GLRA1 4638/4885SMN1; SMN2 3430/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT CHRNA7 4713/4885GLRA1 4682/4885SMN1; SMN2 4230/4885

“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.