SCHEMBL3854616

SCHEMBL3854616

CC(O)c1ccc2cccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS2 P35354 2/20 0.39
BACE1 P56817 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ADRB2 P07550 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL2647486 0.93 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDBCL2L1CA12
SCHEMBL11331364 0.83 MEN1 (0.43) ALDH1A1CA12CA1CA2CA9
SCHEMBL9513577 0.83 ABL1 (0.48) BCL2L1CA12CA1CA2CA9
SCHEMBL1576728 0.82 CA12 (0.56) ALDH1A1HSD17B10HPGDBCL2L1CA12
SCHEMBL9488102 0.82 CA12 (0.43) ALDH1A1HSD17B10HPGDBCL2L1CA12
SCHEMBL16731883 0.82 SLC6A4 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL3398674 0.82 SLC6A3 (0.44) ALDH1A1HPGDCA12CA1CA2
SCHEMBL4058252 0.82 SLC6A4 (0.45) HSD17B10HPGDCA12CA1CA2
SCHEMBL16409728 0.82 SLC6A4 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL18713606 0.79 PTGDR2 (0.43) HPGDBACE1MAPK1KMT2AMEN1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-20060069098-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2006-03-30 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-20060069098-A1 Bicyclic compound CRH, NR3C2, CRHR1 ALDH1A1 1929/4885HSD17B10 601/4885HPGD 1850/4885

“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.