SCHEMBL25820060

SCHEMBL25820060

Cc1cc(CC(C)C)c2cc(F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ATM Q13315 1/20 0.40
CASP3 P42574 1/20 0.39
MPO P05164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GPR35 Q9HC97 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.37
CHRM4 P08173 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL13059432 0.82 KDM4E (0.47) GAAALDH1A1KDM4EHSD17B10ATM
SCHEMBL3881237 0.81 ALDH1A1 (0.47) GAAALDH1A1KDM4EHSD17B10ATM
SCHEMBL6628232 0.81 KDM4E (0.46) GAAALDH1A1KDM4EHSD17B10ATM
SCHEMBL13200125 0.80 CYP1A2 (0.56) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL3768853 0.79 KDM4E (0.45) GAAALDH1A1KDM4EHSD17B10ATM
SCHEMBL25820101 0.79 PDE3B (0.44) GAAALDH1A1HSD17B10
SCHEMBL25820075 0.76 CCNC (0.42)
SCHEMBL19983447 0.76 GAA (0.48) GAAALDH1A1KDM4EHSD17B10ATM
SCHEMBL25825505 0.75 SMN1; SMN2 (0.35) KDM4EHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL2608850 0.75 KDM4E (0.46) GAAALDH1A1KDM4EHSD17B10ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR GAA 819/4885ALDH1A1 4541/4885KDM4E 4095/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA GAA 1228/4885ALDH1A1 3871/4885KDM4E 4219/4885

“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.