SCHEMBL3047141

SCHEMBL3047141

CC(C)CCCCC(=O)O.COC(C(=O)O)=C(OC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KDM4C Q9H3R0 2/20 0.40
KDM4A O75164 1/20 0.40
PHF8 Q9UPP1 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
PPARA Q07869 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38

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
Octanoic Acid SCHEMBL3647827 0.84 CES2 (0.50) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL457034 0.80 TSHR (0.54) HDAC2HDAC3HDAC1HDAC7HDAC8
Octanoic Acid SCHEMBL27814370 0.79 CES2 (0.43) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27876289 0.78 TSHR (0.52) HDAC2HDAC3HDAC1HDAC7HDAC8
SCHEMBL27892981 0.78 TSHR (0.52) SMN1; SMN2NPC1RAB9AHPGDLMNA
Benzoic Acid SCHEMBL10479112 0.77 HDAC3 (0.56) HDAC2HDAC3HDAC4HDAC1HDAC7
Dimethyl Phthalate SCHEMBL28369541 0.76 ALDH1A1 (0.46) KDM4CKDM4APHF8KDM2AHPGD
Benzoyl Peroxide SCHEMBL28166281 0.76 LMNA (0.52) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL755996 0.75 ESRRB (0.42) SMN1; SMN2NPC1RAB9AHPGDLMNA
Benzoic Acid SCHEMBL4281002 0.74 HDAC3 (0.50) HDAC2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221384-B1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES BRODA TECH LLC (US) 2024-05-01 EP disclosed
EP-2689774-B1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS BRODA TECH CO LTD (CN) 2019-01-30 EP disclosed
US-9937254-B2 Water-soluble supramolecular complexes Broda Technologies Co., Ltd. (CN) 2018-04-10 US disclosed
EP-3221384-A1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES Broda Tech LLC (US) 2017-09-27 EP disclosed
US-20170128574-A1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES Broda Technologies Co., Ltd. (CN) 2017-05-11 US disclosed
US-9592295-B2 Reversely thermo-reversible hydrogel compositions Broda Technologies Co., Ltd. (CN) 2017-03-14 US disclosed
US-20160175445-A1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS Broda International LLC (US) 2016-06-23 US disclosed
US-20160144038-A1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES Broda International, LLC (US) 2016-05-26 US disclosed
WO-2016081714-A1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES BRODA TECH, LLC (US) 2016-05-26 WO disclosed
US-20150071864-A1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS Broda Technologies Co., Ltd. (CN) 2015-03-12 US disclosed
US-8865143-B2 Reversely thermo-reversible hydrogel compositions Broda Technologies Co., Ltd. (CN) 2014-10-21 US disclosed
EP-2689774-A1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS Broda Technologies Co., Ltd (CN) 2014-01-29 EP disclosed
US-20120244097-A1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS Broda Technologies Co., Ltd. (CN) 2012-09-27 US disclosed
US-7790191-B2 Cosmetic composition DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2010-09-07 US disclosed
US-7771709-B2 Polyethersiloxane copolymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
EP-1496080-B1 Alternating copolymer of organopolysiloxane with glycerol derivative and a cosmetic comprising the same SHINETSU CHEMICAL CO (JP) 2006-04-26 EP disclosed
US-20050053571-A1 Cosmetic composition DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2005-03-10 US disclosed
US-20050008600-A1 Alternating copolymer of organopolysiloxane with grycerol derivative and a cosmetic comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1496080-A1 Alternating copolymer of organopolysiloxane with glycerol derivative and a cosmetic comprising the same Shin-Etsu Chemical Company, Ltd. (JP) 2005-01-12 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 (7 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-20050053571-A1 Cosmetic composition AHR, TRPA1, H1-0 HDAC2 242/4885HDAC3 770/4885HDAC4 416/4885
US-20170128574-A1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES TP53, PWWP2B, BLM HDAC2 3594/4885HDAC3 2772/4885HDAC4 4279/4885
US-20120244097-A1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS RAD54L, PGA5, LRBA HDAC2 1588/4885HDAC3 1890/4885HDAC4 1295/4885
US-20150071864-A1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS RAD54L, PGA5, LRBA HDAC2 1588/4885HDAC3 1890/4885HDAC4 1295/4885
US-20160144038-A1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES TP53, PWWP2B, BLM HDAC2 3594/4885HDAC3 2772/4885HDAC4 4279/4885
US-20050008600-A1 Alternating copolymer of organopolysiloxane with grycerol derivative and a cosmetic comprising the same MGLL, DAGLA, AGL HDAC2 944/4885HDAC3 1343/4885HDAC4 820/4885
US-20160175445-A1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS RAD54L, PGA5, LRBA HDAC2 1588/4885HDAC3 1890/4885HDAC4 1295/4885

“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.