SCHEMBL110052

SCHEMBL110052

CC#CCOc1cc(C=O)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
FDPS P14324 1/20 0.44
ALDH1A1 P00352 13/20 0.43
TSHR P16473 1/20 0.42
HPGD P15428 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
TRIM24 O15164 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TACR2 P21452 1/20 0.36
AOX1 Q06278 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL16272281 0.88 PDE4B (0.46) PDE4BFDPSALDH1A1TSHRHPGD
SCHEMBL16272280 0.86 ALDH1A1 (0.45) FDPSALDH1A1TSHRHPGDTDP1
SCHEMBL2843898 0.83 ALDH1A1 (0.62) PDE4BFDPSALDH1A1TSHRHPGD
SCHEMBL2838672 0.83 FDPS (0.67) PDE4BFDPSALDH1A1TSHRHPGD
SCHEMBL16272278 0.83 PDE4B (0.45) PDE4BFDPSALDH1A1TSHRHPGD
SCHEMBL112198 0.80 KDM4E (0.50) PDE4BALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL29440158 0.79 PDE4B (0.45) PDE4BFDPSALDH1A1TSHRMAPT
SCHEMBL141941 0.79 PDE4B (0.45) PDE4BFDPSALDH1A1TSHRMAPT
SCHEMBL1121530 0.78 ALDH1A1 (0.67) FDPSALDH1A1TSHRHPGDTDP1
SCHEMBL29956585 0.78 ALDH1A1 (0.67) FDPSALDH1A1TSHRHPGDTDP1

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-8624056-B2 Halogenated analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2014-01-07 US disclosed
US-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS THE UNIVERSITY OF MELBOURNE (AU) 2012-03-08 US disclosed
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-01-27 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-20140357628-A1 THERAPEUTIC COMPOUNDS NFATC1, AADAC, NAT1 PDE4B 1014/4885FDPS 681/4885ALDH1A1 201/4885
US-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF PDE4B 1131/4885FDPS 399/4885ALDH1A1 242/4885
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF PDE4B 1131/4885FDPS 399/4885ALDH1A1 242/4885

“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.