SCHEMBL17821908

SCHEMBL17821908

COc1cc(C)c(C=CC(=O)O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NFE2L2 Q16236 1/20 0.56
KDM4E B2RXH2 7/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
PKM P14618 2/20 0.53
PTGS2 P35354 2/20 0.53
HTR1A P08908 1/20 0.53
HTR2C P28335 1/20 0.53
PTGS1 P23219 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.50
GAA P10253 4/20 0.49
SNCA P37840 3/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49

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
SCHEMBL17821906 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NFE2L2KDM4EHPGD
SCHEMBL2434895 0.91 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NFE2L2KDM4EHPGD
SCHEMBL2434893 0.91 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NFE2L2KDM4EHPGD
SCHEMBL7138837 0.88 NFE2L2 (0.59) ALDH1A1SMN1; SMN2NFE2L2KDM4EHPGD
SCHEMBL17864832 0.86 KDM4E (0.54) ALDH1A1SMN1; SMN2NFE2L2KDM4EHPGD
SCHEMBL30871940 0.85 NFE2L2 (0.76) ALDH1A1SMN1; SMN2NFE2L2KDM4EHPGD
SCHEMBL715805 0.85 NFE2L2 (0.76) ALDH1A1SMN1; SMN2NFE2L2KDM4EHPGD
SCHEMBL715804 0.85 NFE2L2 (0.76) ALDH1A1SMN1; SMN2NFE2L2KDM4EHPGD
SCHEMBL6852555 0.85 NFE2L2 (0.69) ALDH1A1SMN1; SMN2NFE2L2KDM4EHPGD
SCHEMBL6852559 0.85 NFE2L2 (0.69) ALDH1A1SMN1; SMN2NFE2L2KDM4EHPGD

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 6 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
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 ALDH1A1 3748/4885SMN1; SMN2 4230/4885NFE2L2 478/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT ALDH1A1 3748/4885SMN1; SMN2 4230/4885NFE2L2 478/4885
US-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 ALDH1A1 3741/4885SMN1; SMN2 3430/4885NFE2L2 2973/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT ALDH1A1 3748/4885SMN1; SMN2 4230/4885NFE2L2 478/4885

“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.