SCHEMBL3198632

SCHEMBL3198632

Cc1cc(Br)ccc1OCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.67
ALDH1A1 P00352 3/20 0.61
POLB P06746 3/20 0.61
HPGD P15428 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PPARD Q03181 1/20 0.59
TSHR P16473 2/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PTGDR Q13258 1/20 0.55
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
CASP3 P42574 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL21858385 0.86 PTGDR2 (0.62) PTGDR2ALDH1A1POLBHPGDNPSR1
SCHEMBL14569575 0.86 ALDH1A1 (0.61) PTGDR2ALDH1A1POLBHPGDNPSR1
SCHEMBL1676664 0.83 ALDH1A1 (0.62) ALDH1A1POLBHPGDNPSR1LMNA
SCHEMBL2113005 0.82 PTGDR2 (0.64) PTGDR2ALDH1A1POLBHPGDLMNA
SCHEMBL1615073 0.82 PKM (0.70) PTGDR2ALDH1A1POLBHPGDLMNA
SCHEMBL1068347 0.82 VDR (0.67) PTGDR2ALDH1A1POLBHPGDNPSR1
SCHEMBL4517104 0.82 MEN1 (0.57) PTGDR2ALDH1A1POLBHPGDNPSR1
SCHEMBL15796076 0.82 ALDH1A1 (0.57) ALDH1A1POLBHPGDNPSR1LMNA
SCHEMBL5699506 0.81 PTGDR2 (0.77) PTGDR2ALDH1A1POLBLMNATSHR
SCHEMBL4009680 0.81 PTGDR2 (0.65) PTGDR2POLBSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110143932-B Piperazinone derivatives, process for producing the same, inhibitor, and method for controlling root-parasitic weeds 南开大学 2022-09-16 CN disclosed
CN-111493078-A Use of piperazinone derivatives, an accelerator and a method for controlling root parasitic weeds 南开大学 2020-08-07 CN disclosed
WO-2019154284-A1 PIPERAZINONE DERIVATIVE, PREPARATION METHOD THEREFOR, USE THEREOF, ACCELERATOR AND METHOD FOR CONTROLLING ROOT PARASITIC WEEDS 南开大学 2019-08-15 WO disclosed
US-8193168-B2 Use of a TRPM5 inhibitor to regulate insulin and GLP-1 release REDPOINT BIO CORPORATION (US) 2012-06-05 US disclosed
US-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US disclosed
US-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release REDPOINT BIO CORPORATION (US) 2008-12-11 US disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 US disclosed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 EP disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 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 (3 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-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A PTGDR2 571/4885ALDH1A1 180/4885POLB 3869/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A PTGDR2 571/4885ALDH1A1 180/4885POLB 3869/4885
US-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release GLP1R, GIPR, TRPM5 PTGDR2 2951/4885ALDH1A1 4573/4885POLB 4849/4885

“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.