SCHEMBL17833746

SCHEMBL17833746

Cc1ccc(OCc2ccccc2)cc1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.57
▸ MAOB P27338 7/20 0.50
▸ RAB9A P51151 3/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ MAOA P21397 2/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL17208245 0.87 ALOX5 (0.57) ALOX5MAOBRAB9AL3MBTL1NPC1
SCHEMBL27010416 0.87 ALOX5 (0.61) ALOX5MAOBRAB9AL3MBTL1MAOA
SCHEMBL17615827 0.83 ALOX5 (0.56) ALOX5MAOBRAB9AL3MBTL1MAOA
SCHEMBL1805526 0.83 ALOX5 (0.56) ALOX5MAOBRAB9AL3MBTL1MAOA
SCHEMBL8335885 0.81 ALOX5 (0.61) ALOX5MAOBRAB9AL3MBTL1NPC1
SCHEMBL683906 0.81 ALOX5 (0.57) ALOX5MAOBRAB9AL3MBTL1MAOA
SCHEMBL11974257 0.81 MAOB (0.57) ALOX5MAOBL3MBTL1HRH3LMNA
SCHEMBL6584399 0.80 ALOX5 (0.53) ALOX5MAOBL3MBTL1HRH3LMNA
SCHEMBL20526940 0.79 ALOX5 (0.56) ALOX5MAOBRAB9AL3MBTL1MAOA
SCHEMBL15472489 0.79 ALOX5 (0.56) ALOX5MAOBRAB9AL3MBTL1MAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT ALOX5 3276/4885MAOB 3746/4885RAB9A 1408/4885
US-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 ALOX5 2668/4885MAOB 3357/4885RAB9A 1437/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT ALOX5 3276/4885MAOB 3746/4885RAB9A 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.

Send feedback