SCHEMBL9225249

SCHEMBL9225249

CC[C@H]1CC[C@H](c2ccc(B(O)O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.44
ESR1 P03372 6/20 0.44
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
LPL P06858 4/20 0.42
LIPG Q9Y5X9 4/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.40
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL2556128 1.00 ESR2 (0.44) ESR2ESR1CYP2C9CYP3A4LPL
SCHEMBL3025618 0.86 CYP2C9 (0.59) ESR2ESR1CYP2C9CYP3A4LPL
SCHEMBL6556143 0.86 CYP2C9 (0.59) ESR2ESR1CYP2C9CYP3A4LPL
SCHEMBL11187444 0.84 ESR2 (0.52) ESR2ESR1CYP2C9CYP3A4ALDH1A1
SCHEMBL938629 0.84 ESR2 (0.46) ESR2ESR1CYP2C9CYP3A4LPL
SCHEMBL11187439 0.84 ESR2 (0.52) ESR2ESR1CYP2C9CYP3A4ALDH1A1
SCHEMBL3291353 0.84 LPL (0.44) LPLLIPGCA2CA1
SCHEMBL2556952 0.83 CYP2C9 (0.49) ESR2ESR1CYP2C9CYP3A4LPL
SCHEMBL29186351 0.83 CYP2C9 (0.49) ESR2ESR1CYP2C9CYP3A4LPL
SCHEMBL2554148 0.82 CYP2C9 (0.48) ESR2ESR1CYP2C9CYP3A4LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
WO-1995013999-A1 3,5-DIFLUOROBENZENES AND THEIR USE IN LIQUID-CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-05-26 WO disclosed
WO-1995013257-A1 2,6-DIFLUOROBENZENES AND THEIR USE IN LIQUID-CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-05-18 WO disclosed
WO-1995009829-A1 2,4-DIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-13 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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ESR2 349/4885ESR1 576/4885CYP2C9 2863/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ESR2 349/4885ESR1 576/4885CYP2C9 2863/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ESR2 257/4885ESR1 341/4885CYP2C9 2291/4885

“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.