SCHEMBL7629387

SCHEMBL7629387

CCC(C(=O)OC)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.61
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ FFAR2 O15552 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KCNQ2 O43526 1/20 0.45
▸ NOS3 P29474 1/20 0.45
▸ NOS1 P29475 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43

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
SCHEMBL27676916 1.00 L3MBTL1 (0.61) L3MBTL1ESR1ESR2FFAR2HTT
SCHEMBL11859297 0.86 L3MBTL1 (0.58) L3MBTL1ESR1ESR2FFAR2SLC6A2
SCHEMBL192706 0.86 L3MBTL1 (0.61) L3MBTL1ESR1ESR2FFAR2SLC6A2
SCHEMBL4517176 0.86 L3MBTL1 (0.49) L3MBTL1FFAR2HTTMAPK1MAPT
SCHEMBL17838862 0.84 L3MBTL1 (0.60) L3MBTL1ESR1ESR2MAPTMEN1
SCHEMBL1476384 0.84 L3MBTL1 (0.57) L3MBTL1ESR1ESR2MEN1KMT2A
SCHEMBL7716645 0.84 ESR1 (0.70) L3MBTL1ESR1ESR2MAPTLMNA
SCHEMBL3520738 0.83 ESR1 (0.73) L3MBTL1ESR1ESR2FFAR2MEN1
Hydrochloric Acid SCHEMBL191106 0.83 L3MBTL1 (0.58) L3MBTL1ESR1ESR2MAPTMEN1
SCHEMBL7718835 0.83 ESR1 (0.55) L3MBTL1ESR1ESR2HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514161-A — — 2002-05-14 — — JP claimed
EP-0927033-A1 RETINOYLOXY(SUBSTITUTED)ALKYLENE BUTYRATES USEFUL FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES BAR-ILAN UNIVERSITY (IL) 1999-07-07 — — EP claimed
EP-0927033-A4 — — 1999-07-07 — — EP claimed
WO-1998000127-A1 RETINOYLOXY(SUBSTITUTED)ALKYLENE BUTYRATES USEFUL FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES BAR-ILAN UNIVERSITY (IL) 1998-01-08 — — WO claimed
US-10155770-B2 Substituted pyrazolopyrimidines and method of use ABBVIE INC. (US) 2018-12-18 — — US disclosed
US-20180105530-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-19 — — US disclosed
EP-3286192-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE AbbVie Deutschland GmbH & Co KG (DE) 2018-02-28 — — EP disclosed
US-9828381-B2 Substituted pyrazolopyrimidines and method of use AbbVie Deutschland GmbH & Co. KG (DE) 2017-11-28 — — US disclosed
WO-2016169995-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-27 — — WO disclosed
US-20160304527-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-20 — — US disclosed
EP-0927033-A1 RETINOYLOXY(SUBSTITUTED)ALKYLENE BUTYRATES USEFUL FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES BAR-ILAN UNIVERSITY (IL) 1999-07-07 — — EP disclosed
EP-0927033-A4 — — 1999-07-07 — — EP disclosed
WO-1998000127-A1 RETINOYLOXY(SUBSTITUTED)ALKYLENE BUTYRATES USEFUL FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES BAR-ILAN UNIVERSITY (IL) 1998-01-08 — — WO 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-20160304527-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE GABBR1, GABBR2, GABRB1 L3MBTL1 2022/4885ESR1 1606/4885ESR2 1011/4885
US-10155770-B2 Substituted pyrazolopyrimidines and method of use GABBR1, GABBR2, GABRB1 L3MBTL1 2022/4885ESR1 1606/4885ESR2 1011/4885
US-20180105530-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE GABBR1, GABBR2, GABRB1 L3MBTL1 2022/4885ESR1 1606/4885ESR2 1011/4885

“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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