SCHEMBL513114

SCHEMBL513114

NC12CC3CC(C1)CC(C(=O)O)(C3)C2(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.37
GRM4 Q14833 7/20 0.33
ALDH1A1 P00352 3/20 0.33
GRM6 O15303 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALOX15 P16050 2/20 0.33
GRM8 O00222 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC6A4 P31645 1/20 0.32
GRM2 Q14416 5/20 0.32
GRM5 P41594 4/20 0.32
GRM1 Q13255 2/20 0.32
GRM3 Q14832 2/20 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
SCHEMBL160641 0.85 THRB (0.35) CYP2C9THRBPOLBALDH1A1MEN1
SCHEMBL31065065 0.83 THRB (0.34) CYP2C9THRBPOLBALDH1A1MEN1
SCHEMBL31065066 0.83 THRB (0.34) CYP2C9THRBPOLBALDH1A1MEN1
SCHEMBL22092713 0.73 L3MBTL1 (0.36) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL1072980 0.70 ALDH1A1 (0.36) CYP2C9THRBPOLBALDH1A1PKM
SCHEMBL471870 0.69
SCHEMBL905260 0.68 THRB (0.42) CYP2C9THRBPOLBGRM4ALDH1A1
SCHEMBL12517650 0.67 GRM4 (0.34) CYP2C9THRBGRM4ALDH1A1GRM6
SCHEMBL866125 0.67 GRIN2D (0.53) CYP2C9THRBPOLBPKMSLC22A2
Hydrochloric Acid SCHEMBL11330577 0.65 THRB (0.40) CYP2C9THRBPOLBALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10478512-B2 Charge-balanced imaging agents BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2019-11-19 US disclosed
US-10201621-B2 Charge-balanced imaging agents BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2019-02-12 US disclosed
US-20180177896-A1 CHARGE-BALANCED IMAGING AGENTS BETH ISRAEL DEACONESS MEDICAL CT INC (US) 2018-06-28 US disclosed
EP-2393420-B1 CHARGE-BALANCED IMAGING AGENTS BETH ISRAEL DEACONESS MEDICAL CT INC (US) 2018-05-30 EP disclosed
US-20170290927-A1 CHARGE-BALANCED IMAGING AGENTS BETH ISRAEL DEACONESS MEDICAL CT INC (US) 2017-10-12 US disclosed
US-20170290928-A1 USE OF CHARGE-BALANCED IMAGING AGENTS FOR DETERMINING RENAL FUNCTION BETH ISRAEL DEACONESS MEDICAL CT INC (US) 2017-10-12 US disclosed
US-9687567-B2 Charged-balanced imaging agents BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-06-27 US disclosed
US-20150209451-A1 CHARGED-BALANCED IMAGING AGENTS BETH ISRAEL HOSPITAL (US) 2015-07-30 US disclosed
US-9023611-B2 Charged-balanced imaging agents BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2015-05-05 US disclosed
US-20120028291-A1 CHARGED-BALANCED IMAGING AGENTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2012-02-02 US disclosed
EP-2393420-A1 CHARGE-BALANCED IMAGING AGENTS Beth Israel Deaconess Medical Center, Inc. (US) 2011-12-14 EP disclosed
WO-2010091243-A1 CHARGE-BALANCED IMAGING AGENTS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2010-08-12 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 (7 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-10201621-B2 Charge-balanced imaging agents PHOSPHO1, ACTB, CYTH3 CYP2C9 4880/4885THRB 1779/4885POLB 3210/4885
US-10478512-B2 Charge-balanced imaging agents PHOSPHO1, ACTB, CYTH3 CYP2C9 4880/4885THRB 1779/4885POLB 3210/4885
US-20170290928-A1 USE OF CHARGE-BALANCED IMAGING AGENTS FOR DETERMINING RENAL FUNCTION ATP6V1B1, SLC8B1, PHOSPHO1 CYP2C9 4862/4885THRB 2285/4885POLB 2589/4885
US-20150209451-A1 CHARGED-BALANCED IMAGING AGENTS PHOSPHO1, ACTB, ARFGAP1 CYP2C9 4880/4885THRB 1581/4885POLB 3018/4885
US-20120028291-A1 CHARGED-BALANCED IMAGING AGENTS PHOSPHO1, ACTB, ARFGAP1 CYP2C9 4880/4885THRB 1581/4885POLB 3018/4885
US-20170290927-A1 CHARGE-BALANCED IMAGING AGENTS PHOSPHO1, ACTB, CYTH3 CYP2C9 4880/4885THRB 1779/4885POLB 3210/4885
US-20180177896-A1 CHARGE-BALANCED IMAGING AGENTS PHOSPHO1, ACTB, CYTH3 CYP2C9 4880/4885THRB 1779/4885POLB 3210/4885

“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.