SCHEMBL6651343

SCHEMBL6651343

CCCCCCCCCCCCCCCCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
GRIA1 P42261 1/20 0.58
HDAC1 Q13547 6/20 0.54
HDAC6 Q9UBN7 6/20 0.54
CNR1 P21554 1/20 0.54
CHRND Q07001 5/20 0.53
CHRNA1 P02708 1/20 0.53
CHRNG P07510 1/20 0.53
CHRNB1 P11230 1/20 0.53

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
SCHEMBL6650599 1.00 ITGB3 (0.58) ITGB3ITGA2BGRIA1HDAC1HDAC6
SCHEMBL6651722 1.00 ITGB3 (0.58) ITGB3ITGA2BGRIA1HDAC1HDAC6
SCHEMBL10521367 1.00 ITGB3 (0.58) ITGB3ITGA2BGRIA1HDAC1HDAC6
SCHEMBL6650597 1.00 ITGB3 (0.58) ITGB3ITGA2BGRIA1HDAC1HDAC6
SCHEMBL10519976 1.00 ITGB3 (0.58) ITGB3ITGA2BGRIA1HDAC1HDAC6
SCHEMBL12309199 0.93 GRIA1 (0.51) ITGB3ITGA2BGRIA1CNR1CHRND
SCHEMBL18220518 0.90 HDAC1 (0.66) GRIA1HDAC1HDAC6
SCHEMBL14472192 0.90 HDAC1 (0.66) GRIA1HDAC1HDAC6
SCHEMBL2337076 0.90 HDAC1 (0.66) GRIA1HDAC1HDAC6
SCHEMBL27910970 0.90 HDAC1 (0.66) GRIA1HDAC1HDAC6

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-4844884-A TYROSINE DERIVATIVES AND ADENOSINE-5'-PHOSPHATES INDUCHEM AG (CH) 1989-07-04 US claimed
EP-1255531-B1 TANNING PREPARATION FOR THE SKIN DIJA ZEIST BV (NL) 2004-06-09 EP disclosed
US-6649149-B2 Tyrosine derivative and aliphatic polyol activator DIJA ZEIST B.V. (NL) 2003-11-18 US disclosed
US-20030118527-A1 Tanning preparation for the skin DIJA ZEIST B.V. 2003-06-26 US disclosed
EP-1255531-A1 TANNING PREPARATION FOR THE SKIN Dija Zeist B.V. (NL) 2002-11-13 EP disclosed
WO-2001060330-A1 TANNING PREPARATION FOR THE SKIN DIJA ZEIST B.V. (NL) 2001-08-23 WO disclosed
US-4844884-A TYROSINE DERIVATIVES AND ADENOSINE-5'-PHOSPHATES INDUCHEM AG (CH) 1989-07-04 US 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-20030118527-A1 Tanning preparation for the skin TELO2, TDO2, TAOK2 ITGB3 4722/4885ITGA2B 4863/4885GRIA1 3074/4885

“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.