SCHEMBL6400338

SCHEMBL6400338

C=CCOC(CC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HDAC2 Q92769 1/20 0.33
PPARA Q07869 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL1967452 0.84 PPARG (0.42) MEN1KMT2ATSHRALDH1A1HDAC2
SCHEMBL3710006 0.82 TSHR (0.34) MEN1KMT2ATSHRALDH1A1HDAC2
SCHEMBL29022994 0.81 TSHR (0.42) TSHRALDH1A1HDAC2CA1CA2
SCHEMBL6862113 0.81 HDAC2 (0.34) MEN1KMT2AHDAC2TDP1
SCHEMBL3262845 0.80 SMN1; SMN2 (0.34) SMN1; SMN2TSHRTDP1
SCHEMBL21930547 0.80 TDP1 (0.34) TSHRHDAC2TDP1
SCHEMBL7774736 0.80 TSHR (0.37) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL21930549 0.80 TDP1 (0.34) TSHRHDAC2TDP1
SCHEMBL7772586 0.80 TSHR (0.37) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL7708142 0.79 TDP1 (0.36) SMN1; SMN2HDAC2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-6916851-B2 Microbiocides; skin disorders; aging resistance UNILEVER HOME & PERSONAL CARE USA, A DIVISION OF CONOPCO, INC. (US) 2005-07-12 US disclosed
US-20040018948-A1 Skin care cosmetic methods of sebum control using carboxyalkylates of branched alcohols and/or alkoxylates thereof UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-01-29 US disclosed
WO-2004006883-A1 SKIN CARE COSMETIC COMPOSITIONS CONTAINING CARBOXYALKYLATES OF BRANCHED ALCOHOLS AND/OR ALKOXYLATES THEREOF UNILEVER PLC (GB) 2004-01-22 WO disclosed
US-20040013630-A1 Skin care cosmetic compositions containing carboxyalkylates of branched alcohols and/or alkoxylates thereof UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-01-22 US disclosed
US-20040013631-A1 Skin care cosmetic compositions containing carboxyalkylates of branched alcohols and/or alkoxylates thereof UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO 2004-01-22 US disclosed
EP-0459369-B1 Fluorine-containing polymer for paints and paint composition containing the polymer DAIKIN IND LTD (JP) 1995-03-15 EP disclosed
US-5171804-A Electrodeposition coating DAIKIN INDUSTRIES, LTD. (JP) 1992-12-15 US disclosed
EP-0459369-A1 Fluorine-containing polymer for paints and paint composition containing the polymer DAIKIN INDUSTRIES, LTD. (JP) 1991-12-04 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 (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-20040018948-A1 Skin care cosmetic methods of sebum control using carboxyalkylates of branched alcohols and/or alkoxylates thereof CUTA, SCD5, LIPE MEN1 4545/4885KMT2A 4397/4885SMN1; SMN2 4077/4885
US-20040013630-A1 Skin care cosmetic compositions containing carboxyalkylates of branched alcohols and/or alkoxylates thereof CUTA, SCD5, LIPE MEN1 4496/4885KMT2A 4287/4885SMN1; SMN2 3887/4885
US-20040013631-A1 Skin care cosmetic compositions containing carboxyalkylates of branched alcohols and/or alkoxylates thereof CUTA, YAP1, EBP MEN1 4634/4885KMT2A 3910/4885SMN1; SMN2 3977/4885

“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.