SCHEMBL628777

SCHEMBL628777

N#Cc1ccccc1/C=C/C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.52
CCND1 P24385 4/20 0.52
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
TRPA1 O75762 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPK1 P28482 1/20 0.43
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
TSHR P16473 1/20 0.39
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
F2R P25116 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5561570 1.00 CDK4 (0.52) CDK4CCND1ALDH1A1LMNATRPA1
SCHEMBL7905215 0.83 TSHR (0.48) ALDH1A1LMNATSHRCA1CA2
SCHEMBL1932223 0.83 TSHR (0.48) ALDH1A1LMNATSHRCA1CA2
SCHEMBL29732385 0.83 TSHR (0.48) ALDH1A1LMNATSHRCA1CA2
SCHEMBL9187108 0.81 TSHR (0.46) ALDH1A1LMNATSHRCA1CA2
SCHEMBL98563 0.79 LMNA (0.55) ALDH1A1LMNATSHRCA1CA2
SCHEMBL16476616 0.78 CDK4 (0.70) CDK4CCND1ALDH1A1LMNATRPA1
SCHEMBL11070320 0.78 CDK4 (0.70) CDK4CCND1ALDH1A1LMNATRPA1
SCHEMBL8466573 0.77 TSHR (0.36) ALDH1A1TSHRCA1CA2F2R
SCHEMBL17189814 0.77 TSHR (0.48) ALDH1A1LMNATSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1929072-A1 CORROSION INHIBITOR COMPOSITIONS AND ASSOCIATED METHODS Halliburton Energy Services, Inc. (US) 2008-06-11 EP claimed
WO-2007034155-A1 CORROSION INHIBITOR COMPOSITIONS AND ASSOCIATED METHODS HALLIBURTON ENERGY SERVICES, INC. (US) 2007-03-29 WO claimed
EP-1689911-A1 METHODS AND COMPOSITIONS FOR INHIBITING METAL CORROSION Halliburton Energy Services, Inc. (US) 2006-08-16 EP claimed
WO-2005054544-A1 METHODS AND COMPOSITIONS FOR INHIBITING METAL CORROSION HALLIBURTON ENERGY SERVICES, INC. (US) 2005-06-16 WO claimed
EP-3799597-A1 DOWNHOLE METHODS USING ACID COMPOSITIONS COMPRISING CORROSION INHIBITORS Fluid Energy Group Ltd (CA) 2021-04-07 EP disclosed
WO-2020223790-A1 NOVEL STIMULATION METHOD FLUID ENERGY GROUP LTD. (CA) 2020-11-12 WO disclosed
WO-2020192348-A1 PHENYL ALLYLIDENE CYCLOHEXENONE DERIVATIVES AND PREPARATION METHOD AND USE 南通大学 2020-10-01 WO disclosed
WO-2019213741-A1 DOWNHOLE METHODS USING ACID COMPOSITIONS COMPRISING CORROSION INHIBITORS FLUID ENERGY GROUP LTD. (CA) 2019-11-14 WO disclosed
WO-2019213738-A1 NOVEL DOWNHOLE METHODS FLUID ENERGY GROUP LTD (CA) 2019-11-14 WO disclosed
WO-2019213740-A1 NOVEL DOWNHOLE METHODS AND COMPOSITIONS USED IN SUCH FLUID ENERGY GROUP LTD. (CA) 2019-11-14 WO disclosed
US-9994554-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-06-12 US disclosed
US-9994554-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-06-12 US disclosed
WO-2006136262-A1 CORROSION INHIBITOR FOR ACIDS KAO CORPORATION, S.A. (ES) 2006-12-28 WO disclosed
EP-1656351-A1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
WO-2005014549-A1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2005-02-17 WO disclosed
US-20050014792-A1 Process for preparation of pyridine derivatives ROCHE PALO ALTO LLC 2005-01-20 US disclosed
EP-0201352-B1 ALKENE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-24 EP disclosed
US-5047412-A Treatmetn of pulmonary and/or vascular disorders; thromboxane A2 antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-10 US disclosed
US-4824858-A THROMBOXANE A2 ANTAGONIST IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-04-25 US disclosed
EP-0201352-A2 Alkene derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-12 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 (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-20050014792-A1 Process for preparation of pyridine derivatives NOX3, KMO, PBK CDK4 2417/4885CCND1 2530/4885ALDH1A1 1856/4885

“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.