SCHEMBL780325

SCHEMBL780325

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA9 Q16790 1/20 0.32
CYP3A4 P08684 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9343626 0.95 ALDH1A1 (0.42) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL1710506 0.86 CA2 (0.55) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL1710503 0.86 CA2 (0.55) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL1710465 0.83 CYP3A4 (0.53) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL1710462 0.83 CYP3A4 (0.53) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL8343913 0.81 CA1 (0.43) CA1CA2CA12CA7CA14
SCHEMBL28142509 0.81 CYP3A4 (0.47) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL22638004 0.81 CA12 (0.33) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL13890120 0.81 TSHR (0.52) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL10151688 0.80 CA1 (0.59) ALDH1A1USP2TSHRKDM4ELMNA

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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
US-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-08 US disclosed
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 US disclosed
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-11446261-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2022-09-20 US disclosed
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2021-03-18 US disclosed
US-10639286-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2020-05-05 US disclosed
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2019-06-20 US disclosed
US-20090253927-A1 PROCESS FOR CYCLOHEXANECARBOXYLIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-10-08 US disclosed
US-20090253928-A1 PREPARATION FOR A CYCLOHEXANECARBOXYLIC ACID DERIVATIVE AND INTERMEDIATES HOFFMANN-LA ROCHE, INC. 2009-10-08 US disclosed
WO-2009121788-A1 NEW PROCESS FOR THE PREPARATIION OF CYCLOHEXANECARBOXYLIC ACID DERICATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 WO disclosed
US-20090240080-A1 PROCESS FOR THE PREPARATION OF CETP(1) HOFFMANN URSULA 2009-09-24 US disclosed
EP-2094636-A1 PROCESS FOR PREPARING 1-(2-ETHYL-BUTYL)-CYCLOHEXANECARBOXYLIC ACID F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
EP-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed
US-20080154059-A1 PROCESS FOR THE PREPARATION OF CETP(1) HOFFMANN-LA ROCHE INC. 2008-06-26 US disclosed
WO-2008074677-A1 PROCESS FOR PREPARING 1- (2-ETHYL-BUTYL) -CYCLOHEXANECARBOXYLIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
EP-1935867-A1 Process for preparing 1-(2-ethyl-butyl)-cyclohexanecarboxylic acid F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 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 (12 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-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885USP2 3553/4885TSHR 2964/4885
US-20080154059-A1 PROCESS FOR THE PREPARATION OF CETP(1) CETP, CES1, CPA1 ALDH1A1 1871/4885USP2 1810/4885TSHR 4374/4885
US-20090240080-A1 PROCESS FOR THE PREPARATION OF CETP(1) CETP, CES1, CPA1 ALDH1A1 1871/4885USP2 1810/4885TSHR 4374/4885
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ALDH1A1 140/4885USP2 3553/4885TSHR 2964/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ALDH1A1 133/4885USP2 3473/4885TSHR 2971/4885
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ALDH1A1 140/4885USP2 3553/4885TSHR 2964/4885
US-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 ALDH1A1 1237/4885USP2 3047/4885TSHR 4555/4885
US-20090253927-A1 PROCESS FOR CYCLOHEXANECARBOXYLIC ACID DERIVATIVES CYP2C9, CYP51A1, CYP2B6 ALDH1A1 166/4885USP2 3239/4885TSHR 3920/4885
US-11446261-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885USP2 3553/4885TSHR 2964/4885
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 ALDH1A1 649/4885USP2 2310/4885TSHR 2419/4885
US-20090253928-A1 PREPARATION FOR A CYCLOHEXANECARBOXYLIC ACID DERIVATIVE AND INTERMEDIATES CYP2A13, CYP1A1, CYP2C19 ALDH1A1 114/4885USP2 3059/4885TSHR 3952/4885
US-10639286-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885USP2 3553/4885TSHR 2964/4885

“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.