SCHEMBL6748868

SCHEMBL6748868

[CH2]CCC(=O)C=Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
HAO1 Q9UJM8 1/20 0.59
HSP90AA1 P07900 2/20 0.55
MAPT P10636 7/20 0.55
LMNA P02545 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
PLIN1 O60240 2/20 0.55
RECQL P46063 2/20 0.55
PLIN5 Q00G26 2/20 0.55
ABHD5 Q8WTS1 2/20 0.55
TNKS O95271 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55

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
SCHEMBL6748869 1.00 ALDH1A1 (0.70) ALDH1A1HAO1HSP90AA1MAPTLMNA
SCHEMBL13039630 0.88 ALDH1A1 (0.88) ALDH1A1HAO1HSP90AA1MAPTLMNA
SCHEMBL15136845 0.84 ALDH1A1 (0.63) ALDH1A1HAO1HSP90AA1MAPTLMNA
SCHEMBL15136846 0.84 ALDH1A1 (0.63) ALDH1A1HAO1HSP90AA1MAPTLMNA
SCHEMBL11295609 0.82 ALDH1A1 (0.72) ALDH1A1HAO1HSP90AA1MAPTLMNA
SCHEMBL1285623 0.82 ALDH1A1 (1.00) ALDH1A1HAO1HSP90AA1MAPTLMNA
SCHEMBL11308676 0.82 ALDH1A1 (0.72) ALDH1A1HAO1HSP90AA1MAPTLMNA
SCHEMBL27525601 0.82 ALDH1A1 (0.72) ALDH1A1HAO1HSP90AA1MAPTLMNA
SCHEMBL27727862 0.82 ALDH1A1 (0.72) ALDH1A1HAO1HSP90AA1MAPTLMNA
SCHEMBL1285622 0.82 ALDH1A1 (1.00) ALDH1A1HAO1HSP90AA1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
EP-1057830-A1 HETEROCYCLE-FUSED BENZOTHIAZINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-12-06 EP 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 (2 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-20030171367-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 ALDH1A1 149/4885HAO1 126/4885HSP90AA1 892/4885
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 ALDH1A1 149/4885HAO1 126/4885HSP90AA1 892/4885

“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.