SCHEMBL17833752

SCHEMBL17833752

Cc1cc2c(cc1CO)C(/C=C/c1ccccc1)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 10/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIN2C Q14957 1/20 0.39
UCHL1 P09936 1/20 0.35
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35

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
SCHEMBL17833754 0.79 GHSR (0.42) GHSR
SCHEMBL17833755 0.78 MEN1 (0.41) GHSRMEN1KMT2ALMNA
SCHEMBL20705848 0.78 GRIN2C (0.49) GHSRMEN1KMT2ALMNAGRIN2C
SCHEMBL17833756 0.75 GHSR (0.39) GHSRMEN1KMT2AALDH1A1TSHR
SCHEMBL17833757 0.73 ALDH1A1 (0.42) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL17821641 0.72 CHRNA7 (0.44) GHSRMEN1KMT2ALMNA
SCHEMBL17821644 0.72 CHRNA7 (0.44) GHSRMEN1KMT2ALMNA
SCHEMBL17833751 0.71 GHSR (0.36) GHSRMEN1KMT2AALDH1A1LMNA
SCHEMBL12295499 0.69 GHSR (0.39) GHSRMEN1KMT2ALMNA
SCHEMBL12295500 0.69 GHSR (0.39) GHSRMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 GHSR 4832/4885MEN1 2432/4885KMT2A 1269/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT GHSR 4858/4885MEN1 3715/4885KMT2A 780/4885

“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.