SCHEMBL17821970

SCHEMBL17821970

Cc1cc2c(cc1/C=C/Br)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
EDNRB P24530 2/20 0.39
EDNRA P25101 2/20 0.39
ATM Q13315 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.36
MITF O75030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
IGF1R P08069 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
SCHEMBL17821971 1.00 LMNA (0.40) LMNAHPGDEDNRBEDNRAATM
SCHEMBL17821932 0.89 KDM4E (0.35) LMNAHPGDEDNRBEDNRAALDH1A1
SCHEMBL17821930 0.89 KDM4E (0.35) LMNAHPGDEDNRBEDNRAALDH1A1
SCHEMBL4594814 0.76 LMNA (0.59) LMNAHPGDATMCYP3A4ALDH1A1
SCHEMBL30302255 0.75 AR (0.54) LMNAHPGDATMALDH1A1MAPT
SCHEMBL14922690 0.75 AR (0.54) LMNAHPGDATMALDH1A1MAPT
SCHEMBL8005199 0.73 CYP3A4 (0.44) LMNAHPGDATMCYP3A4ALDH1A1
SCHEMBL11866752 0.72 CYP3A4 (0.38) CYP3A4MAPK1
SCHEMBL11866756 0.72 CYP3A4 (0.38) CYP3A4MAPK1
SCHEMBL20439669 0.72 ALDH1A1 (0.61) LMNAHPGDALDH1A1MAPTMITF

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 8 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-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
WO-2016100391-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. (US) 2016-06-23 WO disclosed
WO-2016100391-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. (US) 2016-06-23 WO 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 LMNA 3070/4885HPGD 1172/4885EDNRB 3794/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT LMNA 3070/4885HPGD 1172/4885EDNRB 3794/4885
US-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 LMNA 2556/4885HPGD 2546/4885EDNRB 4247/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT LMNA 3070/4885HPGD 1172/4885EDNRB 3794/4885

“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.