SCHEMBL4188899

SCHEMBL4188899

O=C(O)C(F)=C(F)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.48
CES2 O00748 4/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
TDP1 Q9NUW8 4/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA9 Q16790 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
CA4 P22748 2/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL8724219 1.00 CES1 (0.48) CES1CES2TSHRALDH1A1DAO
SCHEMBL8392056 0.80 CES1 (0.48) CES1CES2TSHRALDH1A1DAO
SCHEMBL25249496 0.79 ALOX15 (0.54) CES1CES2TSHRALDH1A1CA2
SCHEMBL30873595 0.79 ALOX15 (0.54) CES1CES2TSHRALDH1A1CA2
SCHEMBL28653461 0.78 CES1 (0.46) CES1CES2TSHRALDH1A1DAO
SCHEMBL2234110 0.78 CES1 (0.47) CES1CES2TSHRALDH1A1DAO
SCHEMBL3929950 0.78 CES1 (0.47) CES1CES2TSHRALDH1A1DAO
SCHEMBL18985177 0.78 CES1 (0.47) CES1CES2TSHRALDH1A1DAO
SCHEMBL9631465 0.76 CES1 (0.44) CES1CES2TSHRALDH1A1DAO
SCHEMBL17847697 0.76 CES1 (0.48) CES1CES2TSHRALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021119554-A1 COMPOSITIONS AND METHODS FOR POTENTIATING IMMUNE ACTIVITY KUMQUAT BIOSCIENCES INC. (US) 2021-06-17 WO disclosed
WO-2020252075-A1 LIGAND-EXCHANGEABLE JANUS NANOPARTICLES AND METHODS OF MAKING THE SAME ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2020-12-17 WO disclosed
US-20090092975-A1 SELECTABLE MARKER MOLOGIC LTD (GB) 2009-04-09 US disclosed
US-20080200731-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-7381832-B2 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2008-06-03 US disclosed
EP-1735262-A1 PROCESS FOR PREPARING CINNAMIC ACIDS AND ALKYL ESTERS THEREOF Honeywell International, Inc. (US) 2006-12-27 EP disclosed
WO-2005105728-A1 PROCESS FOR PREPARING CINNAMIC ACIDS AND ALKYL ESTERS THEREOF HONEYWELL INTERNATIONAL INC. (US) 2005-11-10 WO disclosed
US-20050234264-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-10-20 US disclosed
US-20050234261-A1 Process for preparing cinnamic acids and alkyl esters thereof HONEYWELL INTERNATIONAL INC. 2005-10-20 US disclosed
US-6956129-B2 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-10-18 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
US-20020115885-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2002-08-22 US disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed
US-5744273-A Laminatable backing substrates containing fluoro compounds for improved toner flow XEROX CORPORATION (US) 1998-04-28 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 (5 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-20090092975-A1 SELECTABLE MARKER AMD1, PADI1, PSAT1 CES1 75/4885CES2 849/4885TSHR 3826/4885
US-20050234264-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives DDT, DDC, NISCH CES1 560/4885CES2 161/4885TSHR 4347/4885
US-20080200731-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives DDT, DDC, NISCH CES1 560/4885CES2 161/4885TSHR 4347/4885
US-20020115885-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives DDT, DDC, NISCH CES1 573/4885CES2 165/4885TSHR 4435/4885
US-20050234261-A1 Process for preparing cinnamic acids and alkyl esters thereof PCCA, LIPA, CA7 CES1 40/4885CES2 8/4885TSHR 1266/4885

“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.