SCHEMBL6780337

SCHEMBL6780337

C/C(=C\c1ccc2ccccc2c1)C(=O)Cl

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPN1 P18031 2/20 0.44
NQO2 P16083 1/20 0.44
AKR1C3 P42330 2/20 0.43
RELA Q04206 1/20 0.43
PTGS1 P23219 1/20 0.42

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
SCHEMBL29966982 0.84 AKR1C3 (0.63) DHODHKDM4EALDH1A1L3MBTL1PTPN1
SCHEMBL122093 0.84 AKR1C3 (0.63) DHODHKDM4EALDH1A1L3MBTL1PTPN1
SCHEMBL51774 0.84 AKR1C3 (0.63) DHODHKDM4EALDH1A1L3MBTL1PTPN1
SCHEMBL6790383 0.83 DHODH (0.50) DHODH
SCHEMBL31623020 0.83 DHODH (0.49) DHODHKDM4EALDH1A1L3MBTL1AKR1C3
SCHEMBL4084710 0.83 DHODH (0.49) DHODHKDM4EALDH1A1L3MBTL1AKR1C3
Hydrochloric Acid SCHEMBL27571578 0.83 AKR1C3 (0.61) DHODHKDM4EALDH1A1L3MBTL1PTPN1
SCHEMBL4084715 0.83 DHODH (0.49) DHODHKDM4EALDH1A1L3MBTL1AKR1C3
Hydrochloric Acid SCHEMBL6780341 0.83 AKR1C3 (0.61) DHODHKDM4EALDH1A1L3MBTL1PTPN1
SCHEMBL10362729 0.80 DHODH (0.56) DHODHKDM4EALDH1A1L3MBTL1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727250-B2 ADMINISTERING COMPOUNDS SUCH AS TRANS-3-(NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-PHENYL)-AMIDE OR LIKE FOR THERAPY OF CONDITIONS ASSOCIATED WITH INCREASED TELOMERASE ACTIVITY, E.G. TUMOUR DISEASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-04-27 US disclosed
CN-1414849-A Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGECHEIM PHARMA KG (DE) 2003-04-30 CN disclosed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 US disclosed
US-6362210-B1 ANTITUMOR, ANTICANCER AGENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-26 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-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation TERT, NAT1, POT1 DHODH 1011/4885KDM4E 1243/4885ALDH1A1 102/4885

“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.