SCHEMBL9026141

SCHEMBL9026141

[O]CCCc1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.54
AKR1B1 P15121 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.40
ADRA2A P08913 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MAOA P21397 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL18241991 0.93 TAAR1 (0.52) TAAR1AKR1B1SMN1; SMN2POLBLMNA
SCHEMBL8593028 0.85 TAAR1 (0.58) TAAR1AKR1B1SMN1; SMN2POLBLMNA
SCHEMBL4428349 0.82 TAAR1 (0.61) TAAR1AKR1B1SMN1; SMN2POLBLMNA
SCHEMBL1810098 0.80 AKR1B1 (0.38) TAAR1AKR1B1SMN1; SMN2POLBLMNA
SCHEMBL1808741 0.80 PTGES2 (0.41) TAAR1LMNAKMT2AMEN1CYP3A4
SCHEMBL673238 0.79 TAAR1 (0.70) TAAR1AKR1B1SMN1; SMN2POLBLMNA
SCHEMBL3294883 0.76 TAAR1 (0.74) TAAR1AKR1B1SMN1; SMN2MAOAHTR2A
SCHEMBL11910714 0.76 TAAR1 (0.54) TAAR1AKR1B1SMN1; SMN2POLBLMNA
SCHEMBL3757556 0.76 TAAR1 (0.54) TAAR1AKR1B1SMN1; SMN2POLBLMNA
SCHEMBL18242334 0.76 ALDH1A1 (0.38) SMN1; SMN2KMT2AMEN1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TAAR1 1102/4885AKR1B1 167/4885SMN1; SMN2 3268/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TAAR1 1102/4885AKR1B1 167/4885SMN1; SMN2 3268/4885

“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.