SCHEMBL2110041

SCHEMBL2110041

O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 20/20 1.00
NR1H2 P55055 18/20 1.00
RXRA P19793 2/20 1.00
MEN1 O00255 1/20 1.00
NR1I2 O75469 1/20 1.00
ALDH1A1 P00352 1/20 1.00
MAPT P10636 1/20 1.00
VHL P40337 1/20 1.00
RECQL P46063 1/20 1.00
BLM P54132 1/20 1.00
KMT2A Q03164 1/20 1.00

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
SCHEMBL29359875 1.00 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL29383609 1.00 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL29802701 0.99 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL29378086 0.99 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL320637 0.99 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL23092274 0.97 NR1H3 (0.95) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4951300 0.95 NR1H3 (0.91) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL13764633 0.95 NR1H3 (0.90) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL13764643 0.94 NR1H3 (0.88) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3979972 0.94 NR1H3 (0.88) NR1H3NR1H2RXRAMEN1NR1I2

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 195 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3999055-A1 METHODS FOR TREATING MEIBOMIAN GLAND DYSFUNCTION WITH LIVER X RECEPTOR AGONISTS Novartis AG (CH) 2022-05-25 EP claimed
EP-3964206-A1 COMPOUNDS FOR THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2022-03-09 EP claimed
CN-114126618-A Method of treating meibomian gland dysfunction with liver X receptor agonists 诺华股份有限公司 2022-03-01 CN claimed
EP-3236927-B1 HAIR COMPOSITION UNILEVER PLC (GB) 2019-11-13 EP claimed
US-9399045-B2 Inhibition of choroidal neovascularization WASHINGTON UNIVERSITY (US) 2016-07-26 US claimed
US-20160045549-A1 INHIBITION OF CHOROIDAL NEOVASCULARIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-18 US claimed
WO-2015187840-A2 METHODS AND FORMULATIONS FOR TREATMENT OF OCULAR DISORDERS DUKE UNIVERSITY (US) 2015-12-10 WO claimed
US-9056091-B1 Composition for regulation of liver X receptor NATIONAL TAIWAN UNIVERSITY (TW) 2015-06-16 US claimed
US-20130274212-A1 Sesterterpene Compounds and Use Thereof SNU R&DB FOUNDATION (KR) 2013-10-17 US claimed
EP-2615094-A2 SESTERTERPENE COMPOUNDS AND USE THEREOF SNU R & DB Foundation (KR) 2013-07-17 EP claimed
WO-2006000577-A2 LXR AGONISTS TO PROMOTE BONE HOMEOSTASIS GALAPAGOS N.V. (BE) 2006-01-05 WO claimed
US-20050282908-A1 Substituted aminopropoxyaryl derivatives useful as agonists for LXR SMITHKLINE BEECHAM CORPORATION 2005-12-22 US claimed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP claimed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US claimed
EP-1318976-B1 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LTD (GB) 2004-11-24 EP claimed
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr SMITHKLINE BEECHAM CORPORATION 2004-04-15 US claimed
JP-2004509161-A 2004-03-25 JP claimed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO claimed
EP-1318976-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2003-06-18 EP claimed
WO-2002024632-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2002-03-28 WO claimed

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

For each of this compound's patents that has machine-readable text (4 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-20050282908-A1 Substituted aminopropoxyaryl derivatives useful as agonists for LXR NR1H3, NR1H2, NR1H4 NR1H3 1/4885NR1H2 2/4885RXRA 28/4885
US-20130274212-A1 Sesterterpene Compounds and Use Thereof LIPC, LIPE, FABP4 NR1H3 231/4885NR1H2 218/4885RXRA 1971/4885
US-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA NR1H3 2/4885NR1H2 1/4885RXRA 12/4885
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr NR1H2, NR1H3, NR1H4 NR1H3 2/4885NR1H2 1/4885RXRA 21/4885

“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.