SCHEMBL25487575

SCHEMBL25487575

Cc1ccc2c(C(=O)O)c(C)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
PDE10A Q9Y233 2/20 0.46
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.42
OPRK1 P41145 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHODH Q02127 5/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL25487573 0.84 KMT2A (0.51) ALDH1A1KMT2ASMN1; SMN2POLBDHODH
SCHEMBL12701351 0.82 ALDH1A1 (0.47) ALDH1A1PDE10ATSHRKMT2AMAPK1
SCHEMBL9657309 0.82 DHODH (0.45) ALDH1A1PDE10ATSHRKMT2APOLB
SCHEMBL3837660 0.82 P2RX7 (0.48) ALDH1A1PDE10ATSHRKMT2AMAPK1
SCHEMBL10015553 0.80 LDHA (0.47) ALDH1A1PDE10AMAPK1SMN1; SMN2L3MBTL1
SCHEMBL8571925 0.75 ALDH1A1 (0.53) ALDH1A1KMT2AOPRK1MAPK1POLB
SCHEMBL4177223 0.75 ALDH1A1 (0.51) ALDH1A1TSHRKMT2AOPRK1MAPK1
SCHEMBL30050021 0.74 ALDH1A1 (0.47) ALDH1A1PDE10ATSHRKMT2ASMN1; SMN2
SCHEMBL23858593 0.74 ALDH1A1 (0.47) ALDH1A1PDE10ATSHRKMT2ASMN1; SMN2
SCHEMBL862762 0.74 ALDH1A1 (0.55) ALDH1A1TSHRKMT2AOPRK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655257-B2 MK2 inhibitors, synthesis thereof, and intermediates thereto CELGENE CAR LLC (BM) 2023-05-23 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-11655257-B2 MK2 inhibitors, synthesis thereof, and intermediates thereto WEE2, WEE1, CDK2 ALDH1A1 3405/4885PDE10A 3323/4885TSHR 4379/4885

“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.