SCHEMBL10145007

SCHEMBL10145007

CC(C)(C)c1cccc(C#CCO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ACHE P22303 3/20 0.40
ALDH1A1 P00352 2/20 0.38
MELK Q14680 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
EGFR P00533 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37

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
SCHEMBL8960332 0.84 HDAC4 (0.38) HDAC4HDAC2HDAC8ACHEKDM4E
SCHEMBL1591331 0.82 FFAR1 (0.51) ALDH1A1FFAR1PTPN1GRM5
SCHEMBL5633251 0.80 ALDH1A1 (0.47) ALDH1A1MELKKDM4ELMNAEGFR
SCHEMBL10145006 0.79 SLC1A5 (0.36) HDAC4HDAC2HDAC8ACHELMNA
SCHEMBL24172577 0.79 CNR2 (0.40) EGFRFFAR1PTPN1
SCHEMBL1746302 0.77 RARB (0.52) MELKKDM4ELMNAGABRPGABRD
SCHEMBL12203266 0.76 NPC1 (0.36) HDAC4HDAC2HDAC8ACHELMNA
SCHEMBL79281 0.76 GRM5 (0.50) ACHEALDH1A1MELKKDM4ELMNA
SCHEMBL28676056 0.76 HDAC8 (0.40) HDAC4HDAC2HDAC8ACHEALDH1A1
SCHEMBL936277 0.75 PTPN1 (0.51) HDAC4HDAC2HDAC8ACHEALDH1A1

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-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 HDAC4 375/4885HDAC2 188/4885HDAC8 319/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 HDAC4 119/4885HDAC2 219/4885HDAC8 110/4885

“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.