SCHEMBL81865

SCHEMBL81865

Cc1cc(CCCO)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
DAO P14920 1/20 0.46
DHODH Q02127 1/20 0.45
MMP13 P45452 1/20 0.44
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
SKP2 Q13309 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP4A11 Q02928 2/20 0.41
CYP4F2 P78329 1/20 0.41
BCHE P06276 1/20 0.40
CA2 P00918 1/20 0.38
IGF1R P08069 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL16950793 0.88 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3DAODHODH
SCHEMBL586296 0.85 DAO (0.46) SLC6A2SLC6A4SLC6A3DAOPTGS1
SCHEMBL15787307 0.82 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3DAODHODH
SCHEMBL10304852 0.82 SKP2 (0.61) SLC6A2SLC6A4SLC6A3DAOSKP2
SCHEMBL80635 0.82 HTT (0.46) DAOCYP4A11BCHECA2IGF1R
SCHEMBL80684 0.82 ALDH1A1 (0.47) SKP2CYP4A11CYP4F2BCHECA2
SCHEMBL29895824 0.81 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3DAODHODH
Hydrochloric Acid SCHEMBL21248345 0.81 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3DAODHODH
SCHEMBL15787360 0.81 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3DAODHODH
SCHEMBL79669 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3DAODHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C SLC6A2 22/4885SLC6A4 45/4885SLC6A3 177/4885

“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.