SCHEMBL20705833

SCHEMBL20705833

COc1nc(C(=O)I)ccc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.37
▸ PDCD1LG2 Q9BQ51 10/20 0.35
▸ CD274 Q9NZQ7 10/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL22768560 0.83 NNMT (0.46) SYKPDCD1LG2CD274L3MBTL1POLB
SCHEMBL2415642 0.74 PLK1 (0.36) SYKPOLBKDM4E
SCHEMBL22842972 0.73 PDCD1LG2 (0.36) SYKPDCD1LG2CD274CA1CA2
SCHEMBL19237081 0.73 CD274 (0.46) PDCD1LG2CD274L3MBTL1
SCHEMBL31523455 0.73 CD274 (0.46) PDCD1LG2CD274L3MBTL1
SCHEMBL25009567 0.71 PDCD1LG2 (0.37) SYKPDCD1LG2CD274POLBTDP1
SCHEMBL8737283 0.71 LPAR1 (0.40) SYKPDCD1LG2CD274KDM4E
SCHEMBL12049970 0.71 POLB (0.47) PDCD1LG2CD274POLBTDP1
SCHEMBL8738081 0.71 PDCD1LG2 (0.37) SYKPDCD1LG2CD274CA1CA2
SCHEMBL2411089 0.70 GRM4 (0.38) L3MBTL1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 SYK 4540/4885PDCD1LG2 2542/4885CD274 2609/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT SYK 4540/4885PDCD1LG2 2542/4885CD274 2609/4885

“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.

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