SCHEMBL23717028

SCHEMBL23717028

COc1cc(C(C)C)cc2cnncc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SOS1 Q07889 6/20 0.40
CRHR1 P34998 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
FYN P06241 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
P2RX3 P56373 2/20 0.32
P2RX2 Q9UBL9 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 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
SCHEMBL23717022 0.78 MAOA (0.55) ALDH1A1HDAC4HDAC8FYNCYP2C9
SCHEMBL23717023 0.78 MAOA (0.44) ALDH1A1SOS1HDAC4HDAC8CYP2C19
SCHEMBL30632059 0.76 ALDH1A1 (0.54) ALDH1A1PDE3BPDE3ACYP2C9CYP2C19
SCHEMBL3143003 0.76 ALDH1A1 (0.54) ALDH1A1PDE3BPDE3ACYP2C9CYP2C19
SCHEMBL23717076 0.73 PTGS2 (0.52) ALDH1A1CYP2C9
SCHEMBL10283932 0.73 NQO1 (0.47) ALDH1A1SOS1HDAC4HDAC8
SCHEMBL10141676 0.70 ALDH1A1 (0.38) ALDH1A1SOS1CRHR1HDAC4HDAC8
SCHEMBL26830587 0.69 RXFP1 (0.42) SOS1CRHR1HDAC4HDAC8POLB
SCHEMBL23717026 0.68 EGFR (0.38) ALDH1A1CRHR1HDAC4HDAC8FYN
SCHEMBL23717242 0.68 HDAC4 (0.36) ALDH1A1SOS1CRHR1HDAC4HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-04-06 US disclosed
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 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 (4 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN ALDH1A1 1686/4885SOS1 2746/4885CRHR1 1212/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN ALDH1A1 1686/4885SOS1 2746/4885CRHR1 1212/4885
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 ALDH1A1 2176/4885SOS1 1860/4885CRHR1 1173/4885
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 ALDH1A1 2176/4885SOS1 1860/4885CRHR1 1173/4885

“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.