SCHEMBL19798447

SCHEMBL19798447

O=C(CC1CCCCC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.71
ALDH1A1 P00352 2/20 0.58
MAPT P10636 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
EPHX2 P34913 4/20 0.55
CACNA1H O95180 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.48

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
SCHEMBL4535957 0.83 EPHX1 (1.00) EPHX1ALDH1A1MAPTNPSR1EPHX2
SCHEMBL4542363 0.82 EPHX1 (1.00) EPHX1ALDH1A1MAPTNPSR1EPHX2
SCHEMBL18028792 0.78 EPHX1 (0.49) EPHX1ALDH1A1MAPTNPSR1EPHX2
SCHEMBL4539949 0.78 EPHX1 (0.55) EPHX1ALDH1A1MAPTNPSR1EPHX2
SCHEMBL4537511 0.78 EPHX1 (0.84) EPHX1ALDH1A1MAPTNPSR1EPHX2
Hydrochloric Acid SCHEMBL18686528 0.78 EPHX1 (0.64) EPHX1ALDH1A1MAPTNPSR1EPHX2
Hydrochloric Acid SCHEMBL18686624 0.78 EPHX1 (0.64) EPHX1ALDH1A1MAPTNPSR1EPHX2
Hydrochloric Acid SCHEMBL18686525 0.78 EPHX1 (0.64) EPHX1ALDH1A1MAPTNPSR1EPHX2
SCHEMBL12196135 0.77 EPHX1 (1.00) EPHX1ALDH1A1MAPTNPSR1EPHX2
SCHEMBL4542890 0.77 EPHX1 (0.53) EPHX1ALDH1A1EPHX2KMT2A

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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 EPHX1 1923/4885ALDH1A1 2128/4885MAPT 1811/4885

“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.