SCHEMBL869863

SCHEMBL869863

O=C(O)Cc1cc(F)cc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.47
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
TSHR P16473 1/20 0.41
CXCL8 P10145 2/20 0.40
AGBL2 Q5U5Z8 2/20 0.38
AKR1B1 P15121 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL29459925 1.00 RIPK1 (0.47) RIPK1CES2CES1TSHRCXCL8
SCHEMBL6858266 0.85 RIPK1 (0.49) RIPK1CES2CES1
SCHEMBL12984533 0.82 RIPK1 (0.46) RIPK1CES2CES1
SCHEMBL15271780 0.82 RIPK1 (0.50) RIPK1CES2CES1
SCHEMBL29517836 0.82 RIPK1 (0.50) RIPK1CES2CES1
SCHEMBL29017067 0.82 RIPK1 (0.46) RIPK1CES2CES1
SCHEMBL30428405 0.81 CXCL8 (0.41) CES2CES1TSHRCXCL8AKR1B1
SCHEMBL7249684 0.81 CXCL8 (0.41) CES2CES1TSHRCXCL8AKR1B1
SCHEMBL584220 0.80 FFAR1 (0.47) RIPK1CES2CES1
SCHEMBL20440116 0.80 AGBL2 (0.39) RIPK1CES2CES1TSHRCXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114715-B1 P-DOPING CROSS-LINKING OF ORGANIC HOLE TRANSPORTERS SIEMENS AG (DE) 2019-10-30 EP claimed
EP-4737458-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme LLC (US) 2026-05-06 EP disclosed
US-20250185502-A1 ORGANIC OPTOELECTRONIC COMPONENT, ORGANIC FUNCTIONAL LAYER, AND METHOD FOR PRODUCING AN OPTOELECTRONIC COMPONENT OSRAM OLED GMBH (DE) 2025-06-05 US disclosed
US-12302747-B2 Optoelectronic component, organic functional layer, and method for producing an optoelectronic component OSRAM OLED GMBH (DE) 2025-05-13 US disclosed
EP-4193399-B1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2025-01-29 EP disclosed
EP-3210248-B2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-04-10 EP disclosed
EP-4193399-A2 ELECTRONIC DEVICE Merck Patent GmbH (DE) 2023-06-14 EP disclosed
CN-116194434-A Electronic device 默克专利有限公司 2023-05-30 CN disclosed
CN-116102556-A Preparation method of sitagliptin intermediate 重庆普佑生物医药有限公司 2023-05-12 CN disclosed
CN-111187154-B Synthetic method of sitagliptin intermediate 2,4, 5-trifluoro phenylacetic acid 浙江九洲药业股份有限公司 2022-05-10 CN disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
WO-2013169348-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-11-14 WO disclosed
WO-2013138418-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-09-19 WO disclosed
WO-2013138418-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-09-19 WO disclosed
CN-102917588-A Chemical compounds GLAXOSMITHKLINE LLC 2013-02-06 CN disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
EP-0394644-A2 Halobenzene derivatives BAYER AG (DE) 1990-10-31 EP 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R RIPK1 218/4885CES2 2996/4885CES1 738/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R RIPK1 218/4885CES2 2996/4885CES1 738/4885

“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.