SCHEMBL5485411

SCHEMBL5485411

C=C1C(C(=O)O)C1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KAT2A Q92830 2/20 0.34
CYP2C19 P33261 1/20 0.32
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
POLB P06746 2/20 0.31
FASN P49327 1/20 0.31
SUCNR1 Q9BXA5 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
SCHEMBL712898 1.00 ALDH1A1 (0.36) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL8954803 1.00 ALDH1A1 (0.36) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL8954801 1.00 ALDH1A1 (0.36) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL8954795 1.00 ALDH1A1 (0.36) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8025030 0.78 CYP1A2 (0.38) ALDH1A1SMN1; SMN2KAT2APOLB
SCHEMBL26342171 0.78
SCHEMBL6432000 0.64 KAT2A (0.30) KAT2ASUCNR1
SCHEMBL23651854 0.62 EDNRA (0.37) ALDH1A1TP53ALOX15TSHRPOLB
SCHEMBL25192440 0.60 GRM2 (0.34) ALDH1A1TP53MAPK1TSHRTDP1
Calcium Chloride SCHEMBL27649821 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070007489-A1 Heat transfer medium composition SHISHIAI-KABUSHIKIGAISHA (JP) 2007-01-11 US claimed
EP-1698678-A1 HEAT CARRIER COMPOSITION Shishiai-Kabushikigaisha (JP) 2006-09-06 EP claimed
EP-0535448-B1 Process and intermediates for the preparation of an antiviral agent containing a cyclobutyl group SQUIBB & SONS INC (US) 1996-06-26 EP claimed
US-5525726-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1996-06-11 US claimed
US-5237095-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-08-17 US claimed
US-5237096-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-08-17 US claimed
US-5218142-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-06-08 US claimed
EP-0535448-A2 Process and intermediates for the preparation of an antiviral agent containing a cyclobutyl group E.R. SQUIBB & SONS, INC. (US) 1993-04-07 EP claimed
US-5185463-A PROCESS FOR THE PREPARATION OF AN ANTIVIRAL AGENT E. R. SQUIBB & SONS, INC. (US) 1993-02-09 US claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-113717062-A Compound, polymer, liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, and production method 捷恩智株式会社 2021-11-30 CN disclosed
EP-2500348-B1 PHOSPHOLIPID DERIVATIVE AND PH-RESPONSIVE LIPOSOMES NOF CORP (JP) 2017-08-23 EP disclosed
US-8445712-B2 Phospholipid derivative and pH-responsive liposomes NOF CORPORATION (JP) 2013-05-21 US disclosed
US-20120258165-A1 PHOSPHOLIPID DERIVATIVE AND PH-RESPONSIVE LIPOSOMES OSAKA PREFECTURE UNIVERSITY PUBLIC CORPORATION (JP) 2012-10-11 US disclosed
US-5237095-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-08-17 US disclosed
US-5233086-A Intermediates for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-08-03 US disclosed
US-5218142-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-06-08 US disclosed
EP-0535448-A2 Process and intermediates for the preparation of an antiviral agent containing a cyclobutyl group E.R. SQUIBB & SONS, INC. (US) 1993-04-07 EP disclosed
US-5185463-A PROCESS FOR THE PREPARATION OF AN ANTIVIRAL AGENT E. R. SQUIBB & SONS, INC. (US) 1993-02-09 US disclosed
US-4988703-A Viricides of hydroxyethylcyclopropylguanine ABBOTT LABORATORIES (US) 1991-01-29 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 (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-20120258165-A1 PHOSPHOLIPID DERIVATIVE AND PH-RESPONSIVE LIPOSOMES PHOSPHO1, SGMS1, PLTP ALDH1A1 3694/4885TP53 1232/4885ALOX15 470/4885

“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.