SCHEMBL6236490

SCHEMBL6236490

CC(C)CCC(CCC(C)C)(CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
CPT2 P23786 2/20 0.35
FFAR1 O14842 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACLY P53396 1/20 0.33
CA1 P00915 1/20 0.33
BLM P54132 2/20 0.33
HSPD1 P10809 1/20 0.33
HSPE1 P61604 1/20 0.33
CYP1A2 P05177 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32

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
SCHEMBL3667247 0.90 CYP2D6 (0.35) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL10654543 0.89 BLM (0.39) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL8557803 0.86 HSPD1 (0.45) TSHRALDH1A1CPT2FFAR1TDP1
SCHEMBL7710974 0.86 FFAR1 (0.41) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL2816326 0.85 BLM (0.50) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL4716771 0.85 BLM (0.50) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL9956582 0.84 FFAR1 (0.44) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL9955921 0.84 FFAR1 (0.44) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL9954618 0.84 FFAR1 (0.44) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL9956243 0.84 FFAR1 (0.44) CYP2D6TSHRCYP2C19HIF1ACPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174454-A1 PROCESS OF SYNTHESIZING AND PURIFYING (3R)-HYDROXYBUTYL (3R)-HYDROXYBUTANOATE GENOMATICA, INC. 2023-06-08 US disclosed
EP-4149918-A1 PROCESS OF SYNTHESIZING AND PURIFYING (3R)-HYDROXYBUTYL (3R)-HYDROXYBUTANOATE Genomatica, Inc. (US) 2023-03-22 EP disclosed
WO-2021231271-A1 PROCESS OF SYNTHESIZING AND PURIFYING (3R)-HYDROXYBUTYL (3R)-HYDROXYBUTANOATE GENOMATICA, INC. (US) 2021-11-18 WO disclosed
EP-3559113-A1 MASTERBATCH COMPOSITION Basell Poliolefine Italia S.r.l. (IT) 2019-10-30 EP disclosed
EP-3506746-A1 DISSOLVENT COMPOSITION, STABLE UNDER COLD CONDITIONS OLEON NV (BE) 2019-07-10 EP disclosed
WO-2018117271-A1 MASTERBATCH COMPOSITION SUNALLOMER LTD. (JP) 2018-06-28 WO disclosed
WO-2018041886-A1 DISSOLVENT COMPOSITION, STABLE UNDER COLD CONDITIONS OLEON NV (BE) 2018-03-08 WO disclosed
EP-2554049-B1 Herbicidal composition with improved efficiency, preparation method and use ARD SA (FR) 2016-03-02 EP disclosed
EP-2554049-A1 Herbicidal composition with improved efficiency, preparation method and use AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2013-02-06 EP disclosed
EP-1525231-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.P.A. (IT) 2005-04-27 EP disclosed
WO-2004005359-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-01-15 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 (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-20230174454-A1 PROCESS OF SYNTHESIZING AND PURIFYING (3R)-HYDROXYBUTYL (3R)-HYDROXYBUTANOATE CYP8B1, GRHPR, HCAR3 CYP2D6 1075/4885TSHR 1472/4885CYP2C19 2017/4885

“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.