SCHEMBL25713209

SCHEMBL25713209

O=C1c2ccccc2CC12CCCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 4/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 5/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 2/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 5/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
ADRA1D P25100 1/20 0.47

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
SCHEMBL30303547 1.00 ALDH1A1 (0.57) ALDH1A1POLBHPGDNPSR1MAPK1
SCHEMBL15692839 0.98 ALDH1A1 (0.54) ALDH1A1POLBHPGDNPSR1MAPK1
SCHEMBL31599138 0.90 SIGMAR1 (0.51) ALDH1A1POLBHPGDNPSR1MAPK1
SCHEMBL11500029 0.90 SIGMAR1 (0.51) ALDH1A1POLBHPGDNPSR1MAPK1
SCHEMBL7887209 0.85 SIGMAR1 (0.60) ALDH1A1POLBNPSR1MAPK1HTT
SCHEMBL7500484 0.83 SIGMAR1 (0.68) ALDH1A1POLBMAPTLMNAALOX12
SCHEMBL7887715 0.83 SIGMAR1 (0.54) ALDH1A1POLBNPSR1MAPK1HTT
SCHEMBL1912720 0.81 POLB (0.46) ALDH1A1POLBNPSR1MAPK1HTT
SCHEMBL11705043 0.81 SIGMAR1 (0.45) ALDH1A1POLBHPGDNPSR1MAPK1
SCHEMBL29790919 0.81 SIGMAR1 (0.45) ALDH1A1POLBNPSR1MAPK1HTT

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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-11685748-B2 Spiro aromatic ring compound and application thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-06-27 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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 ALDH1A1 348/4885POLB 2889/4885HPGD 77/4885
US-11685748-B2 Spiro aromatic ring compound and application thereof PTPN1, PTPN11, PTPN5 ALDH1A1 1919/4885POLB 4665/4885HPGD 3259/4885

“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.