SCHEMBL645042

SCHEMBL645042

C=[C]C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.50
CES2 O00748 4/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
AKT1 P31749 1/20 0.46
TDP1 Q9NUW8 4/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL7464184 0.78 CES1 (0.55) CES1CES2TSHRALDH1A1DAO
SCHEMBL5143659 0.78 HSP90AA1 (0.57) CES1CES2TSHRALDH1A1DAO
SCHEMBL10413479 0.78 CES1 (0.55) CES1CES2TSHRALDH1A1DAO
SCHEMBL10363774 0.77 MAPT (0.52) CES2ALDH1A1TDP1CYP3A4MAPT
SCHEMBL9169521 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL144974 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
Benzoic Acid SCHEMBL28174048 0.76 TSHR (0.78) CES1CES2TSHRALDH1A1DAO
SCHEMBL1224121 0.75 CES2 (0.54) CES1CES2TSHRALDH1A1CYP3A4
SCHEMBL10455142 0.74 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL139423 0.74 CES1 (0.50) 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 253 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004066-B1 PROCESS FOR PREPARING 4,6-BIS(ARYLOXY)PYRIMIDINE DERIVATIVES CHEMINOVA AS (DK) 2018-04-11 EP claimed
CN-105246878-B The method for preparing 4,6 pairs of (aryloxy group) pyrimidine derivatives 切米诺瓦有限公司 2017-12-15 CN claimed
US-9643935-B2 Process for preparing 4,6-BIS (aryloxy) pyrimidine derivatives CHEMINOVA A/S (DK) 2017-05-09 US claimed
EP-2640706-B1 N-ARYL PYRAZOLE(THIO)CARBOXAMIDES BAYER IP GMBH (DE) 2017-03-01 EP claimed
US-20160137612-A1 PROCESS FOR PREPARING 4,6-BIS (ARYLOXY) PYRIMIDINE DERIVATIVES CHEMINOVA A/S (DK) 2016-05-19 US claimed
EP-3004066-A1 PROCESS FOR PREPARING 4,6-BIS(ARYLOXY)PYRIMIDINE DERIVATIVES Cheminova A/S (DK) 2016-04-13 EP claimed
CN-105246878-A Process for preparing 4,6-bis(aryloxy)pyrimidine derivatives CHEMINOVA AS 2016-01-13 CN claimed
US-9206137-B2 N-Aryl pyrazole(thio)carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US claimed
US-20150294752-A1 GRAPHENE MASTERBATCH ENERAGE INC. (TW) 2015-10-15 US claimed
EP-1713789-B1 2-HALOFURYL/THIENYL-3-CARBOXAMIDES BAYER IP GMBH (DE) 2015-05-27 EP claimed
EP-0937050-A1 HALOGEN PYRIMIDINYL ARYL (THIO)ETHERS AS PESTICIDES BAYER AG (DE) 1999-08-25 EP claimed
CN-1209808-A Halogenated pyrimidines and their use as a method for reducing parasites BAYER AG (DE) 1999-03-03 CN claimed
EP-0882043-A1 HALOGEN PYRIMIDINES AND ITS USE THEREOF AS PARASITE ABATEMENT MEANS BAYER AG (DE) 1998-12-09 EP claimed
WO-1998021189-A1 HALOGEN PYRIMIDINYL ARYL (THIO)ETHERS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-22 WO claimed
WO-1997027189-A1 HALOGEN PYRIMIDINES AND ITS USE THEREOF AS PARASITE ABATEMENT MEANS BAYER AKTIENGESELLSCHAFT (DE) 1997-07-31 WO claimed
WO-1993012079-A1 NOVEL PHENYLSULFONYLACRYLATE ESTER DERIVATIVES RICHTER GEDEON VEGYE^´SZETI GYÁR RT. (HU) 1993-06-24 WO claimed
EP-0232849-B1 PYRROLIDINEAMIDE DERIVATIVE OF ACYLAMINO ACID, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1993-05-05 EP claimed
US-4826870-A CURING AMNESIA SUNTORY LIMITED (JP) 1989-05-02 US claimed
EP-0232849-A2 Pyrrolidineamide derivative of acylamino acid, pharmaceutical composition and use SUNTORY LIMITED (JP) 1987-08-19 EP claimed
US-4433152-A ANTIINFLAMMATORY AGENT, ANTIALLERGEN OR ANTICOAGULANT NIPPON CHEMIPHAR CO., LTD. (JP) 1984-02-21 US 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 (1 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-20160137612-A1 PROCESS FOR PREPARING 4,6-BIS (ARYLOXY) PYRIMIDINE DERIVATIVES NUDT1, UMPS, DPYD CES1 1711/4885CES2 1302/4885TSHR 2285/4885

“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.