SCHEMBL890388

SCHEMBL890388

CCOC(=O)C(C#N)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
TRPA1 O75762 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10920266 0.84 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL10902100 0.84 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8466455 0.82
SCHEMBL2002088 0.81 MEN1 (0.40) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL17147680 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9183202 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16866506 0.80
SCHEMBL537543 0.79 GAA (0.43) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8921075 0.79 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9119785 0.79 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140957-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2024-05-02 US disclosed
WO-2022148422-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEIGENE, LTD. (KY) 2022-07-14 WO disclosed
WO-2022148422-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEIGENE, LTD. (KY) 2022-07-14 WO disclosed
US-8603726-B2 Radiation-sensitive resin composition, polymer and compound JSR CORPORATION (JP) 2013-12-10 US disclosed
US-20120082934-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND JSR CORPORATION (JP) 2012-04-05 US disclosed
US-20120082934-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND JSR CORPORATION (JP) 2012-04-05 US disclosed
US-20120082934-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND JSR CORPORATION (JP) 2012-04-05 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 (2 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-20120082934-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND RER1, RFT1, RAD51 ALDH1A1 1635/4885TSHR 2742/4885MEN1 1547/4885
US-20240140957-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF KRAS, NRAS, G3BP1 ALDH1A1 3389/4885TSHR 1333/4885MEN1 130/4885

“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.