SCHEMBL4652503

SCHEMBL4652503

O=C1CCCC2(CCC(=O)O2)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.36
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.30
RECQL P46063 1/20 0.30
PTPN1 P18031 1/20 0.30
ACP1 P24666 1/20 0.30
CDC25B P30305 1/20 0.30

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
SCHEMBL9637113 0.92 TSHR (0.40) SIRT2TSHRLMNACA1CA9
SCHEMBL1048059 0.92 TSHR (0.40) SIRT2TSHRLMNACA1CA9
Formaldehyde SCHEMBL8469586 0.86 TSHR (0.38) SIRT2TSHRLMNACA1CA9
SCHEMBL28748547 0.81 TSHR (0.42) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL17064148 0.72 SMN1; SMN2 (0.35) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL5708888 0.72 SMN1; SMN2 (0.39) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL494066 0.72
SCHEMBL494045 0.72 LMNA (0.39) SIRT2TSHRLMNACA1CA9
SCHEMBL14021448 0.70 SMN1; SMN2 (0.38) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL5708919 0.70 SMN1; SMN2 (0.38) TSHRLMNAALDH1A1MEN1KMT2A

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-9364424-B2 Topical cosmetic skin lightening compositions and methods of use thereof STIEFEL LABORATORIES, INC. (US) 2016-06-14 US disclosed
US-20160074315-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. 2016-03-17 US disclosed
EP-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 EP disclosed
EP-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 EP disclosed
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair MEIJI SEIKA KAISHA, LTD. (JP) 2006-07-27 US disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed
EP-1602354-A1 HAIR TREATMENT COMPOSITION AND HAIR COSMETIC FOR DAMAGED HAIR Meiji Seika Kaisha, Ltd. (JP) 2005-12-07 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 (2 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-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair CUTA, COL14A1, PRKDC SIRT2 3118/4885TSHR 2220/4885LMNA 2112/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR SIRT2 3392/4885TSHR 3312/4885LMNA 142/4885

“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.