SCHEMBL3781285

SCHEMBL3781285

CCCCCC(CCC)COC(=O)OCC(CCC)CCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
CYP3A4 P08684 2/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
LMNA P02545 2/20 0.43
ZDHHC7 Q9NXF8 1/20 0.43
CA2 P00918 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.41
GPR84 Q9NQS5 3/20 0.39
CA1 P00915 3/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 2/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 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
SCHEMBL27008512 0.94 PRSS1 (0.53) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL26633470 0.94 PRSS1 (0.53) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL29240282 0.94 PRSS1 (0.53) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL2990536 0.94 PRSS1 (0.53) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL28656954 0.94 CYP3A4 (0.55) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL29433635 0.92 TSHR (0.46) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL8508059 0.92 TSHR (0.53) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL12646272 0.89 PRSS1 (0.49) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL21259198 0.89 PRSS1 (0.49) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL18558914 0.87 CYP3A4 (0.49) TSHRCYP3A4ATMTDP1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4127122-A1 AQUEOUS FOAMING COMPOSITION AND USE THEREOF FOR THE PREVENTION AND/OR INHIBITION OF AEROSOL FORMATION FROM THE REBOUND OF A LIQUID ON A SURFACE Università degli Studi di Foggia (IT) 2023-02-08 EP disclosed
EP-3319694-B1 SOLID STICK ANTIPERSPIRANT COMPOSITIONS HAVING NON-VOLATILE SILICONES PROCTER & GAMBLE (US) 2021-04-21 EP disclosed
US-10544086-B2 Dialkyl carbonates of branched alcohols and their use COGNIS IP MANAGEMENT GMBH (DE) 2020-01-28 US disclosed
US-20190083365-A1 MICRO-EMULSION CONCENTRATES WITH AMPHOTERIC SURFACTANTS BASF PERSONAL CARE AND NUTRITION GMBH (DE) 2019-03-21 US disclosed
EP-3454820-A1 MICRO-EMULSION CONCENTRATES WITH AMPHOTERIC SURFACTANTS BASF SE (DE) 2019-03-20 EP disclosed
WO-2018060018-A1 USE OF DIALKYL CARBONATES OF BRANCHED ALCOHOLS AS A DISPERSANT BASF SE (DE) 2018-04-05 WO disclosed
EP-3300715-A1 USE OF DIALKYLCARBONATES OF BRANCHED ALCOHOLS AS DISPERSION AGET BASF SE (DE) 2018-04-04 EP disclosed
WO-2017194339-A1 MICRO-EMULSION CONCENTRATES WITH AMPHOTERIC SURFACTANTS BASF SE (DE) 2017-11-16 WO disclosed
US-20170260123-A1 DIALKYL CARBONATES OF BRANCHED ALCOHOLS AND THEIR USE COGNIS IP MANAGEMENT GMBH (DE) 2017-09-14 US disclosed
US-20100331565-A1 Dialkyl Carbonates of Branched Alcohols and their Use COGNIS IP MANAGEMENT GMBH (DE) 2010-12-30 US 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 (4 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-10544086-B2 Dialkyl carbonates of branched alcohols and their use ADH1C, ADH1A, GALK1 TSHR 3848/4885CYP3A4 997/4885ATM 1789/4885
US-20170260123-A1 DIALKYL CARBONATES OF BRANCHED ALCOHOLS AND THEIR USE ADH1C, ADH1A, GALK1 TSHR 3848/4885CYP3A4 997/4885ATM 1789/4885
US-20100331565-A1 Dialkyl Carbonates of Branched Alcohols and their Use GALK1, BCKDK, ADH1C TSHR 3331/4885CYP3A4 1390/4885ATM 2075/4885
US-20190083365-A1 MICRO-EMULSION CONCENTRATES WITH AMPHOTERIC SURFACTANTS SGMS2, PHOSPHO1, SGMS1 TSHR 3125/4885CYP3A4 4829/4885ATM 1527/4885

“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.