SCHEMBL22875593

SCHEMBL22875593

CC1OC2=C(C(=O)C(=O)c3c2ccc2c3CCCC2(C)C)C1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.69
▸ MEN1 O00255 5/20 0.69
▸ ALDH1A1 P00352 5/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ CES2 O00748 5/20 0.69
▸ HPGD P15428 4/20 0.69
▸ HSD17B10 Q99714 4/20 0.69
▸ HIF1A Q16665 4/20 0.69
▸ EPAS1 Q99814 4/20 0.69
▸ KDM4E B2RXH2 3/20 0.69
▸ MAPT P10636 3/20 0.69
▸ RECQL P46063 3/20 0.69
▸ TDP1 Q9NUW8 3/20 0.69
▸ CYP3A4 P08684 3/20 0.69
▸ BLM P54132 3/20 0.69
▸ CES1 P23141 3/20 0.69
▸ IDO1 P14902 3/20 0.69
▸ POLB P06746 2/20 0.69
▸ PTPN6 P29350 2/20 0.69
▸ PTPN11 Q06124 2/20 0.69

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
Cryptotanshinone SCHEMBL5940386 0.81 MEN1 (1.00) PTPN1MEN1ALDH1A1KMT2ACES2
Cryptotanshinone SCHEMBL29387944 0.81 MEN1 (1.00) PTPN1MEN1ALDH1A1KMT2ACES2
Cryptotanshinone SCHEMBL4126834 0.81 MEN1 (1.00) PTPN1MEN1ALDH1A1KMT2ACES2
SCHEMBL3332927 0.81 PTPN1 (0.69) PTPN1MEN1ALDH1A1KMT2ACES2
SCHEMBL13855041 0.80 PTPN1 (0.64) PTPN1MEN1ALDH1A1KMT2ACES2
SCHEMBL3329728 0.80 PTPN1 (0.64) PTPN1MEN1ALDH1A1KMT2ACES2
SCHEMBL3328952 0.79 MEN1 (0.62) PTPN1MEN1ALDH1A1KMT2ACES2
SCHEMBL20671274 0.77 PTPN1 (0.62) PTPN1MEN1ALDH1A1KMT2ACES2
SCHEMBL13883845 0.76 MEN1 (0.74) PTPN1MEN1ALDH1A1KMT2ACES2
SCHEMBL16298225 0.75 PTPN1 (0.57) PTPN1MEN1ALDH1A1KMT2ACES2

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-20240238323-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES ANALOGS AS ANTIVIRAL AGENTS FOR CORONA AND OTHER VIRUSES EMORY UNIVERSITY 2024-07-18 — — US disclosed
US-11207370-B2 Peptidomimetics for the treatment of coronavirus and picornavirus infections EMORY UNIVERSITY (US) 2021-12-28 — — US disclosed
US-20210008150-A1 PEPTIDOMIMETICS FOR THE TREATMENT OF CORONAVIRUS AND PICORNAVIRUS INFECTIONS EMORY UNIVERSITY 2021-01-14 — — 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 (3 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-20210008150-A1 PEPTIDOMIMETICS FOR THE TREATMENT OF CORONAVIRUS AND PICORNAVIRUS INFECTIONS ACE2, SARS1, VIP PTPN1 1331/4885MEN1 1932/4885ALDH1A1 4131/4885
US-20240238323-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES ANALOGS AS ANTIVIRAL AGENTS FOR CORONA AND OTHER VIRUSES MTAP, PNP, SARS1 PTPN1 2577/4885MEN1 3639/4885ALDH1A1 1929/4885
US-11207370-B2 Peptidomimetics for the treatment of coronavirus and picornavirus infections ACE2, SARS1, VIP PTPN1 1331/4885MEN1 1932/4885ALDH1A1 4131/4885

“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.

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