SCHEMBL647743

SCHEMBL647743

CCC(CC)CCCC(C(=O)c1ccccc1)C(=O)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
CYP2D6 P10635 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL541916 0.87 CES2 (0.54) CES2CES1MEN1KMT2ANPC1
SCHEMBL5526112 0.86 TDP1 (0.47) CES2CES1MEN1KMT2ANPC1
SCHEMBL18921799 0.82 SLC2A1 (0.52) CES2CES1MEN1KMT2ANPC1
SCHEMBL2290396 0.78 ALDH1A1 (0.60) CES2CES1MEN1KMT2ANPC1
SCHEMBL5217775 0.77 GSK3B (0.56) CES2CES1MEN1KMT2ACYP2D6
SCHEMBL16166489 0.76 CES2 (0.57) CES2CES1MEN1KMT2ANPC1
SCHEMBL6386045 0.75 RAB9A (0.50) KMT2ANPC1RAB9AMAPTHTT
SCHEMBL15383666 0.74 HTT (0.49) CES2CES1MEN1KMT2ANPC1
SCHEMBL4197237 0.74 CES2 (0.69) CES2CES1MEN1KMT2ANPC1
SCHEMBL504212 0.74 MDM2 (0.53) CES2CES1NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680541-B1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS BASF SE (DE) 2012-12-19 EP claimed
EP-1793798-B1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS BASF SE (DE) 2016-04-20 EP disclosed
EP-1680541-B1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS BASF SE (DE) 2012-12-19 EP disclosed
US-20120121524-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS MUELLER STEFAN (DE) 2012-05-17 US disclosed
US-8119107-B2 Photo-stable cosmetic or dermatological compositions BASF SE (DE) 2012-02-21 US disclosed
US-20100143272-A1 Photo-stable cosmetic or dermatological compositions CIBA SPECIALTY CHEMICALS CORPORATION 2010-06-10 US disclosed
US-7678381-B2 Stabilized body care products, household products, textiles and fabrics CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-03-16 US disclosed
EP-1793798-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS Ciba Specialty Chemicals Holding Inc. (CH) 2007-06-13 EP disclosed
US-20070079446-A1 Stabilized body care products, household products, textiles and fabrics CIBA SPECIALTY CHEMICALS CORP. 2007-04-12 US disclosed
EP-1680541-A2 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS Ciba SC Holding AG (CH) 2006-07-19 EP disclosed
WO-2006034968-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-06 WO disclosed
WO-2005042828-A2 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-05-12 WO 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 (3 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-20070079446-A1 Stabilized body care products, household products, textiles and fabrics CUTA, NISCH, DSC1 CES2 1228/4885CES1 1632/4885MEN1 2500/4885
US-20120121524-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS NISCH, CUTA, MITF CES2 3144/4885CES1 2186/4885MEN1 2580/4885
US-20100143272-A1 Photo-stable cosmetic or dermatological compositions DBF4, CUTA, ARSA CES2 2545/4885CES1 2656/4885MEN1 975/4885

“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.