SCHEMBL22924946

SCHEMBL22924946

CCC(C)c1cc(C)oc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
TSHR P16473 1/20 0.38
RORC P51449 1/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
NQO1 P15559 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
RXRA P19793 1/20 0.30

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
SCHEMBL11687966 0.77 ALOX5 (0.42) ALOX5MAPTKDM4EALDH1A1PKM
SCHEMBL4298346 0.77 ALOX5 (0.48) ALOX5MAPTKDM4ECA1CA9
SCHEMBL11687953 0.75 ALOX5 (0.38) ALOX5MAPTKDM4ECA1CA9
SCHEMBL11683236 0.70 TSHR (0.50) TSHRRORCALDH1A1PKMHSD17B10
SCHEMBL11844598 0.70 ALOX5 (0.47) ALOX5MAPTKDM4EHTTCA1
SCHEMBL178515 0.70 ALOX5 (0.43) ALOX5MAPTKDM4EALDH1A1PKM
SCHEMBL18768101 0.69 TSHR (0.46) TSHRRORCMAPTALDH1A1CA1
SCHEMBL6610370 0.64 ALOX5 (0.39) ALOX5MAPTKDM4EALDH1A1PKM
SCHEMBL29958353 0.64 TSHR (0.44) TSHRRORC
SCHEMBL12625957 0.64 TDP1 (0.46) ALOX5TSHRMAPTALDH1A1PKM

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
EP-3835284-A1 INTERMOLECULAR REACTION OF PROPARGYL ETHERS WITH DIMETHYLFURAN IN THE PRESENCE OF GOLD(I) COMPLEXES DSM IP Assets B.V. (NL) 2021-06-16 EP disclosed
EP-3394020-B1 INTERMOLECULAR REACTION OF PROPARGYL ETHERS WITH DIMETHYLFURAN IN THE PRESENCE OF GOLD(I) COMPLEXES DSM IP ASSETS BV (NL) 2021-01-27 EP disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 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 (1 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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 ALOX5 542/4885TSHR 2633/4885RORC 874/4885

“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.