SCHEMBL13677643

SCHEMBL13677643

Cc1ccc(C=O)cc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.45
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A3 P47895 3/20 0.41
PDE3A Q14432 2/20 0.41
PDE4D Q08499 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
TRIM24 O15164 1/20 0.40
HPGD P15428 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40

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
SCHEMBL3680153 0.87 PDE4B (0.45) PDE4BALDH1A1TSHRPOLBALDH1A3
SCHEMBL16272283 0.86 ALDH1A3 (0.45) PDE4BALDH1A1TSHRPOLBALDH1A3
SCHEMBL8845986 0.85 PDE4B (0.49) PDE4BALDH1A1TSHRPOLBPDE3A
SCHEMBL7356357 0.84 PDE4B (0.42) PDE4BPDE3APDE4DPDE4APDE4C
SCHEMBL5905463 0.83 PDE4B (0.48) PDE4BALDH1A1TSHRPOLBPDE3A
SCHEMBL70835 0.83 ALDH1A1 (0.64) PDE4BALDH1A1TSHRPDE3APDE4D
SCHEMBL2840516 0.83 ALDH1A1 (0.64) PDE4BALDH1A1TSHRALDH1A3PDE3A
SCHEMBL7560477 0.83 ALDH1A1 (0.64) PDE4BALDH1A1TSHRPDE3APDE4D
SCHEMBL29808190 0.83 ALDH1A1 (0.64) PDE4BALDH1A1TSHRPDE3APDE4D
SCHEMBL2847455 0.81 ALDH1A1 (0.62) PDE4BALDH1A1TSHRALDH1A3PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 US disclosed
US-20140357628-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-12-04 US disclosed
US-7601742-B2 4-(3-Hydroxy-4-methoxyphenyl)-pyrrolidin-2-one and derivatives; reverse transcriptase inhibitors; AIDS IRM LLC (BM) 2009-10-13 US disclosed
US-7495016-B2 Pyrrolidones with anti-HIV activity IRM LLC (BM) 2009-02-24 US disclosed
US-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2008-10-16 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-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY PREP, DHPS, PDCD11 PDE4B 1650/4885ALDH1A1 1894/4885TSHR 4841/4885
US-20140357628-A1 THERAPEUTIC COMPOUNDS NFATC1, AADAC, NAT1 PDE4B 1014/4885ALDH1A1 201/4885TSHR 4230/4885

“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.