SCHEMBL628778

SCHEMBL628778

N#CC(C=O)=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.52
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.50
EGFR P00533 2/20 0.44
PKM P14618 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLIN1 O60240 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2A6 P11509 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL4548765 1.00 MCL1 (0.52) MCL1ALDH1A1TSHREGFRPKM
SCHEMBL13265295 1.00 MCL1 (0.52) MCL1ALDH1A1TSHREGFRPKM
SCHEMBL27281064 0.84 LMNA (0.42) MCL1ALDH1A1TSHREGFRPKM
SCHEMBL5805255 0.82 MEN1 (0.59) ALDH1A1TSHREGFRPKMPOLB
SCHEMBL28429180 0.82 MEN1 (0.59) ALDH1A1TSHREGFRPKMPOLB
SCHEMBL7660224 0.81 ALDH1A1 (0.52) MCL1ALDH1A1TSHRLMNACYP2A6
SCHEMBL28909262 0.81 ALDH1A1 (0.48) MCL1ALDH1A1TSHREGFRPKM
SCHEMBL30047058 0.81 ALDH1A1 (0.48) MCL1ALDH1A1TSHREGFRPKM
SCHEMBL11552151 0.80 EGFR (0.46) ALDH1A1TSHREGFRPKMRAB9A
SCHEMBL11553035 0.80 EGFR (0.46) ALDH1A1EGFRRAB9APOLBLMNA

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 29 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
US-4172090-A FROM ISOAZOLE AND BENZALDEHYDE BASF AKTIENGESELLSCHAFT (DE) 1979-10-23 US 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
CN-110002987-B Phenylallylidene cyclohexenone derivative, preparation method and application thereof 南通大学 2020-09-15 CN disclosed
WO-2019213740-A1 NOVEL DOWNHOLE METHODS AND COMPOSITIONS USED IN SUCH FLUID ENERGY GROUP LTD. (CA) 2019-11-14 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
EP-2419549-A1 CORROSION INHIBITOR COMPOSITIONS COMPRISING THE REACTION PRODUCT FORMED FROM AN ALDEHYDE WITH A THIOL AND/OR AN AMINE FUNCTIONALIZED RING STRUCTURE AND ASSOCIATED METHODS Halliburton Energy Services, Inc. (US) 2012-02-22 EP disclosed
US-20040254181-A1 Process for the preparation of 9-deazaguanine derivatives BIOCRYST PHARMACEUTICALS, INC. 2004-12-16 US disclosed
EP-0970029-A1 PROCESS FOR THE PREPARATION OF 9-DEAZAGUANINE DERIVATIVES BIOCRYST PHARMACEUTICALS INC. (US) 2000-01-12 EP disclosed
US-5650511-A MULTISTAGE REACTION OF ALDEHYDE OR KETONE WITH NITRILE GROUP TO FORM ENAMINE, REACTION OF ENAMINE WITH BASE TO FORM PYRROLE, THEN REACTION BIOCRYST PHARMACEUTICALS, INC. (US) 1997-07-22 US disclosed
WO-1997021653-A1 PROCESS FOR THE PREPARATION OF 9-DEAZAGUANINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 1997-06-19 WO disclosed
US-4172090-A FROM ISOAZOLE AND BENZALDEHYDE BASF AKTIENGESELLSCHAFT (DE) 1979-10-23 US disclosed
US-4172090-A FROM ISOAZOLE AND BENZALDEHYDE BASF AKTIENGESELLSCHAFT (DE) 1979-10-23 US disclosed
US-4172090-A FROM ISOAZOLE AND BENZALDEHYDE BASF AKTIENGESELLSCHAFT (DE) 1979-10-23 US disclosed
US-3932678-A Novel dihydrochalcone sweetener compositions THE PROCTER & GAMBLE COMPANY (US) 1976-01-13 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 (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-20040254181-A1 Process for the preparation of 9-deazaguanine derivatives ALKBH3, ALKBH2, ALKBH1 MCL1 2613/4885ALDH1A1 609/4885TSHR 2338/4885

“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.