SCHEMBL4846583

SCHEMBL4846583

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.64
TSHR P16473 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
ATM Q13315 1/20 0.64
RECQL P46063 1/20 0.56
CA2 P00918 7/20 0.55
ALDH1A1 P00352 4/20 0.55
CA1 P00915 2/20 0.52
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49

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
SCHEMBL7225285 0.94 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL4846585 0.93 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL25688075 0.93 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL55328 0.93 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7218240 0.91 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL19428728 0.91 CYP3A4 (0.54) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL27886570 0.89 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7224706 0.89 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL28900906 0.88 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7223059 0.88 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417162-B2 Oily ingredient for cosmetic preparation and cosmetic preparation KYOWA YUKA CO., LTD. (JP) 2008-08-26 US disclosed
US-20050130850-A1 Dibasic acid diesters KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2005-06-16 US disclosed
US-20040219178-A1 Oily ingredient for cosmetic preparation and cosmetic preparation KYOWA YUKA CO., LTD. (JP) 2004-11-04 US disclosed
EP-1449823-A1 DIBASIC ACID DIESTER Kyowa Yuka Co., Ltd. (JP) 2004-08-25 EP disclosed
EP-1426041-A1 OILY INGREDIENT FOR COSMETIC PREPARATION AND COSMETIC PREPARATION Kyowa Yuka Co., Ltd. (JP) 2004-06-09 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 (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-20040219178-A1 Oily ingredient for cosmetic preparation and cosmetic preparation DEGS1, DAGLA, LBR CYP3A4 1514/4885TSHR 2741/4885TDP1 1421/4885

“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.