SCHEMBL6599952

SCHEMBL6599952

C=CCOc1cc(C)ccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.56
FLT3 P36888 1/20 0.47
LIG1 P18858 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
CSNK2A1 P68400 1/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 1/20 0.40
NPC1 O15118 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
SCHEMBL6121031 0.88 FLT3 (0.47) TSHRGAAFLT3LIG1KDM4E
SCHEMBL3319882 0.88 GAA (0.68) TSHRGAAFLT3LIG1TP53
SCHEMBL2374331 0.85 HSP90AA1 (0.50) TSHRGAAFLT3LIG1KDM4E
SCHEMBL27347230 0.84 GAA (0.46) TSHRGAAFLT3LIG1KDM4E
SCHEMBL2902590 0.83 FLT3 (0.66) TSHRGAAFLT3KDM4EALDH1A1
SCHEMBL28948144 0.83 MAOB (0.49) TSHRGAAKDM4EALDH1A1TDP1
SCHEMBL7635214 0.83 TSHR (0.57) TSHRGAAFLT3LIG1TP53
SCHEMBL15007788 0.81 FLT3 (0.43) TSHRGAAFLT3LIG1KDM4E
SCHEMBL8168167 0.81 TSHR (0.68) TSHRGAAFLT3LIG1TP53
SCHEMBL20471839 0.81 TSHR (0.56) TSHRGAAFLT3LIG1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920413-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX INC (US) 2002-11-13 EP claimed
US-20240027903-A1 Resist Material And Patterning Process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 EP disclosed
EP-0231139-A2 Dihydrobenzofurane and chromane carboxamide derivatives, processes for their preparation and their use as neuroleptics Laboratoires DELAGRANGE (FR) 1987-08-05 EP 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-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 TSHR 2806/4885GAA 4826/4885FLT3 4473/4885
US-20240027903-A1 Resist Material And Patterning Process LBR, HNRNPU, EWSR1 TSHR 2364/4885GAA 3050/4885FLT3 3598/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 TSHR 2862/4885GAA 4826/4885FLT3 4501/4885

“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.