SCHEMBL9719099

SCHEMBL9719099

CCCOc1c(Br)cc(C=O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
HPGD P15428 2/20 0.68
HTT P42858 2/20 0.68
MAPK1 P28482 2/20 0.64
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 3/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47

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
SCHEMBL11765947 0.93 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL14195849 0.90 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL14195854 0.90 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL14195852 0.90 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL9360147 0.90 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL3906365 0.90 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL14195848 0.90 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL7466433 0.89 FDPS (0.53) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL6943688 0.88 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL2649949 0.88 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
US-5132463-A Cardiovascular, skin, kidney, respiratory system, and gastrointestinal disorders MERCK & CO., INC. (US) 1992-07-21 US disclosed
EP-0257921-B1 NEW 1,3-DIARYL CYCLOPENTANES AND DERIVATIVES THEREOF AS PAF ANTAGONISTS MERCK & CO. INC. (US) 1992-04-15 EP disclosed
US-5047420-A Platelet activating factor MERCK & CO., INC. (US) 1991-09-10 US disclosed
EP-0257921-A2 New 1,3-diaryl cyclopentanes and derivatives thereof as paf antagonists MERCK & CO. INC. (US) 1988-03-02 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 ALDH1A1 1328/4885MEN1 1608/4885KMT2A 1154/4885

“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.