SCHEMBL17006189

SCHEMBL17006189

C=CCc1cc(C)ccc1CO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
AMY1A P0DUB6 1/20 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
SCHEMBL20906400 0.85 L3MBTL1 (0.40) L3MBTL1MAPK1GABRA1GABRB2ALDH1A1
SCHEMBL20906601 0.81 L3MBTL1 (0.43) L3MBTL1MAPK1GABRA1GABRB2ALDH1A1
SCHEMBL30150898 0.81 AMY1A (0.43) MAPK1ALDH1A1MEN1KMT2AHTT
SCHEMBL233241 0.81 AMY1A (0.43) MAPK1ALDH1A1MEN1KMT2AHTT
SCHEMBL3821503 0.78 GABRA1 (0.66) L3MBTL1MAPK1GABRA1GABRB2ALDH1A1
SCHEMBL29394182 0.78 GABRA1 (0.66) L3MBTL1MAPK1GABRA1GABRB2ALDH1A1
SCHEMBL9629445 0.78 L3MBTL1 (0.49) L3MBTL1MAPK1GABRA1GABRB2ALDH1A1
SCHEMBL1003895 0.78 GABRA1 (0.50) L3MBTL1MAPK1GABRA1GABRB2ALDH1A1
SCHEMBL28564365 0.78 L3MBTL1 (0.43) L3MBTL1MAPK1GABRA1GABRB2ALDH1A1
SCHEMBL10899219 0.78 GAA (0.44) L3MBTL1MAPK1GABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107918-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-12-28 EP disclosed
US-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
WO-2015126737-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
WO-2015126737-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 US disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 US disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 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 (1 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-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication TYMP, EIF2AK2, MAVS L3MBTL1 2831/4885MAPK1 821/4885GABRA1 4322/4885

“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.