SCHEMBL8436634

SCHEMBL8436634

CCC(CC)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
TDP1 Q9NUW8 3/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 2/20 0.49
HCAR2 Q8TDS4 1/20 0.49
CYP1A2 P05177 1/20 0.48
HPGD P15428 2/20 0.47
EPHX2 P34913 1/20 0.47
PPARG P37231 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL17617234 0.91 CYP1A2 (0.58) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL23811129 0.90 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL6050184 0.90 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL26825081 0.90 CA1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL19002175 0.88 SLC15A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL28012229 0.88 CA1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL3823743 0.87 CA2 (0.53) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL24535020 0.87 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
Phosphoric Acid SCHEMBL8654816 0.85 PPARG (0.55) ALDH1A1CYP3A4CYP1A2EPHX2PPARG
SCHEMBL3247583 0.85 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101219963-B Phenylcarbinol kearny ester compounds UNIV SHANDONG 2010-12-08 CN claimed
CN-101219963-A Phenylcarbinol kearny ester compounds UNIV SHANDONG (CN) 2008-07-16 CN claimed
CN-1566078-A Preparation method of N-(1-S-ethoxycarbonyl-3-phenyl propyl)-S-alanine BEIJING TH UNIS INSIGHT CO LTD (CN) 2005-01-19 CN claimed
EP-4008427-A1 PROGRAMMABLE POLYMER DROPLETS AND ASSOCIATED USES ETH Zurich (CH) 2022-06-08 EP disclosed
WO-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2019112024-A1 PYRROLIDINE COMPOUND キッセイ薬品工業株式会社 2019-06-13 WO disclosed
CN-109843283-A Urea derivative 第一三共株式会社 2019-06-04 CN disclosed
US-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE API CORPORATION (JP) 2016-03-24 US disclosed
US-7927581-B2 For magnetic resonance imaging (MRI); peptide modified at its N- and its C-termini, independently, with a moiety comprising a metal chelate complex; specific binding affinity for fibrin; sufficient half-life in vivo Factor 1A, LLC (US) 2011-04-19 US disclosed
CN-101219963-B Phenylcarbinol kearny ester compounds UNIV SHANDONG 2010-12-08 CN disclosed
US-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES JOHNS HOPKINS UNIVERSOTY (US) 2009-11-26 US disclosed
CN-101219963-A Phenylcarbinol kearny ester compounds UNIV SHANDONG (CN) 2008-07-16 CN disclosed
US-7238341-B2 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 US disclosed
US-20050074411-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. A DELAWARE CORPORATION 2005-04-07 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-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA ALDH1A1 4848/4885TDP1 3429/4885MAPK1 2622/4885
US-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE MGMT, GSTA1, CBS ALDH1A1 236/4885TDP1 2534/4885MAPK1 1591/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA ALDH1A1 4848/4885TDP1 3429/4885MAPK1 2622/4885
US-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES HCCS, XPO5, DHX15 ALDH1A1 4123/4885TDP1 3541/4885MAPK1 3511/4885

“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.