SCHEMBL26762020

SCHEMBL26762020

COc1cc(C(C)C)cc2cc(Br)cnc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
PRNP P04156 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CRHR1 P34998 1/20 0.39
NQO2 P16083 4/20 0.36
P2RX3 P56373 6/20 0.34
P2RX2 Q9UBL9 6/20 0.34
HPGDS O60760 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CASR P41180 1/20 0.32

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
SCHEMBL26762014 0.84 RXRA (0.33) NPC1RAB9A
SCHEMBL23905240 0.81 P2RX3 (0.38) CRHR1P2RX3P2RX2HPGDS
SCHEMBL12074836 0.79 ALDH1A1 (0.42) ALDH1A1PRNPMAPTNPSR1RXFP1
SCHEMBL23958814 0.79 ALDH1A1 (0.46) ALDH1A1PRNPMAPTNPSR1RXFP1
SCHEMBL23717026 0.76 EGFR (0.38) ALDH1A1CRHR1P2RX3P2RX2HPGDS
SCHEMBL26762018 0.75 PRNP (0.46) ALDH1A1PRNPMAPTNPSR1RXFP1
SCHEMBL26577804 0.75 PTGS2 (0.44) ALDH1A1PRNPMAPTNPSR1RXFP1
SCHEMBL25113960 0.74 CRHR1 (0.40) ALDH1A1PRNPMAPTNPSR1RXFP1
SCHEMBL14904002 0.74 HSD17B10 (0.43) ALDH1A1PRNPMAPTNPSR1RXFP1
SCHEMBL20666239 0.73 DYRK1A (0.48) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365525-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230365525-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-09 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-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 ALDH1A1 2104/4885PRNP 290/4885MAPT 4609/4885
US-20230365525-A1 ANTIVIRAL COMPOUNDS ACE, ZC3HAV1, SARS1 ALDH1A1 2152/4885PRNP 267/4885MAPT 4520/4885

“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.