SCHEMBL991245

SCHEMBL991245

CCCCC(CC)C(=O)OCC(CC)(CO)CCCC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.51
CA1 P00915 4/20 0.51
MAPK1 P28482 1/20 0.43
ATM Q13315 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL813789 0.92 CA2 (0.56) CA2CA1MAPK1ATMGAA
SCHEMBL1004665 0.92 CA2 (0.56) CA2CA1MAPK1ATMGAA
SCHEMBL2806008 0.89 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL31396735 0.89 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL187925 0.89 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL80648 0.89 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL9960580 0.85 CA2 (0.63) CA2CA1MAPK1ATMGAA
SCHEMBL93763 0.85 CA2 (0.63) CA2CA1MAPK1ATMGAA
SCHEMBL1894893 0.83 CA2 (0.53) CA2CA1MAPK1ATMGAA
SCHEMBL18334306 0.82 CA2 (0.59) CA2CA1MAPK1ATMGAA

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-20130210921-A1 Method for Giving Warmth to Skin ROHTO PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 US claimed
EP-1752164-B1 PERCUTANEOUS PHARMACEUTICAL PREPARATION FOR EXTERNAL USE CONTAINING NONSTEROIDAL ANTIINFLAMMATORY ANALGESIC HISAMITSU PHARMACEUTICAL CO (JP) 2014-05-07 EP disclosed
US-20130210921-A1 Method for Giving Warmth to Skin ROHTO PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 US disclosed
US-20110027326-A1 External Composition for Skin ROHTO PHARMACEUTICAL CO., LTD. (JP) 2011-02-03 US disclosed
EP-2269652-A1 COMPOSITION FOR EXTERNAL APPLICATION TO SKIN Rohto Pharmaceutical Co., Ltd. (JP) 2011-01-05 EP disclosed
US-20070280980-A1 Percutaneous Pharmaceutical Preparation for External Use Containing Nonsteroidal Antiinflammatory Analgesic HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2007-12-06 US disclosed
US-20070275022-A1 Cosmetic Hair Preparation LION CORPORATION (JP) 2007-11-29 US disclosed
EP-1752164-A1 PERCUTANEOUS PHARMACEUTICAL PREPARATION FOR EXTERNAL USE CONTAINING NONSTEROIDAL ANTIINFLAMMATORY ANALGESIC HISAMITSU PHARMACEUTICAL CO. INC. (JP) 2007-02-14 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-20070275022-A1 Cosmetic Hair Preparation CUTA, H1-10, PUF60 CA2 669/4885CA1 374/4885MAPK1 3405/4885

“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.