SCHEMBL5843317

SCHEMBL5843317

[CH2]CCC(=O)c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MAPT P10636 4/20 0.63
HPGD P15428 4/20 0.63
KDM4E B2RXH2 3/20 0.63
MEN1 O00255 2/20 0.63
GMNN O75496 2/20 0.63
LMNA P02545 2/20 0.63
POLB P06746 2/20 0.63
MAPK1 P28482 2/20 0.63
BLM P54132 2/20 0.63
PMP22 Q01453 2/20 0.63
KMT2A Q03164 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
CMKLR1 Q99788 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63

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
SCHEMBL1267253 0.85 PTPN1 (0.67) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL29875679 0.83 ALDH1A1 (0.70) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL1716864 0.83 ALDH1A1 (0.70) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL6008188 0.83 ALDH1A1 (0.65) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL10416279 0.83 ALDH1A1 (0.65) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL3361461 0.81 ALDH1A1 (0.63) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL818033 0.81 ALDH1A1 (0.63) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL10358075 0.81 ALDH1A1 (0.63) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL29387947 0.81 ALDH1A1 (0.63) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL6008112 0.81 ALDH1A1 (0.63) ALDH1A1MAPTHPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115591-B2 Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-7001895-B2 Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LABORATORIES (US) 2006-02-21 US disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-6703388-B2 DIBENZODIAZEPINE DERIVATIVES; ANTIHISTAMINES, LEUKOTRIENE INHIBITORS, ANTIALLERGENS, ANTIASTHMATICS; HAY FEVER, ATOPIC DERMATITIS, AND URTICARIA TREATMENT EISAI CO., LTD. (JP) 2004-03-09 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US disclosed
US-20030171367-A1 Nitrogen-containing tricyclic compounds and drugs containing the same EISAI CO., LTD. 2003-09-11 US disclosed
US-6583138-B1 Mediators or antagonists of the effects of histamine, leukotriene and the like; heterocyclic ring condensed benzothiazine compounds; inhibit the activation of the tyrosine kinase of 72 kDa EISAI CO., LTD. (JP) 2003-06-24 US disclosed
US-6489336-B2 PHENOTHIAZINE, ACRIDAN, ACRIDONE OXIME, ACRIDONE HYDRAZONE, OR DIBENZODIAZEPINE DERIVATIVES; TYROSINE KINASE INHIBITORS; TREATING ALLERGIC DISEASES EISAI CO., LTD. (JP) 2002-12-03 US disclosed
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same EISAI CO., LTD. 2002-08-01 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-6333322-B1 FOR THERAPY OF ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS, URTICARIA, HAY FEVER, GASTROINTESTINAL ALLERGY AND FOOD ALLERGY EISAI CO., LTD. (JP) 2001-12-25 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
EP-1057830-A1 HETEROCYCLE-FUSED BENZOTHIAZINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-12-06 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
EP-0889037-A1 NITROGENOUS TRICYCLIC COMPOUNDS AND DRUGS COMPRISING THE SAME Eisai Co., Ltd. (JP) 1999-01-07 EP disclosed
EP-0857721-A1 ACRIDONE COMPOUNDS Eisai Co., Ltd. (JP) 1998-08-12 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 (6 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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 277/4885MAPT 4845/4885HPGD 12/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885MAPT 4849/4885HPGD 13/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885MAPT 4849/4885HPGD 13/4885
US-20030171367-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 ALDH1A1 149/4885MAPT 1551/4885HPGD 53/4885
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 ALDH1A1 149/4885MAPT 1551/4885HPGD 53/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885MAPT 4849/4885HPGD 13/4885

“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.