SCHEMBL25949175

SCHEMBL25949175

CCc1ccc2cc(C(C)C)cn2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
IDO1 P14902 2/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
TRPA1 O75762 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13086280 0.81 LMNA (0.35) L3MBTL1TRPA1NPC1ALDH1A1LMNA
SCHEMBL7172701 0.76 TRPA1 (0.33) CYP1A2CYP2A6TRPA1
SCHEMBL24712800 0.72 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2945744 0.71 SKP2 (0.40) MAPK1TSHRNPC1ALDH1A1LMNA
SCHEMBL7169837 0.70 TP53 (0.39) CYP1A2CYP2A6MAPK1L3MBTL1NPC1
SCHEMBL1645600 0.68 NPC1 (0.47) L3MBTL1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13086281 0.67 LMNA (0.34) TDP1TRPA1NPC1ALDH1A1LMNA
SCHEMBL139408 0.67 L3MBTL1 (0.56) CYP1A2CYP2A6MAPK1L3MBTL1TSHR
SCHEMBL17083596 0.66 ALOX15 (0.44) CYP1A2CYP2A6TRPA1NPC1ALDH1A1
SCHEMBL19756610 0.66 FABP4 (0.33) ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-03 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-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF CDK2, CDK5, CDK9 CYP1A2 1995/4885CYP2A6 2252/4885MAPK1 428/4885

“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.