SCHEMBL1284638

SCHEMBL1284638

CC(C)(C)C(=O)/C=C/c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 6/20 0.51
KMT2A Q03164 5/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 4/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
PTPN5 P54829 1/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL1284639 1.00 MAPT (0.58) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL30377588 0.81 MAPT (0.63) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL1404944 0.81 MAPT (0.63) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL31356854 0.81 MAPT (0.63) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL1404946 0.81 MAPT (0.63) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL1219446 0.80 MAPT (0.54) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL15081581 0.79 HDAC1 (0.57) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL10781980 0.79 MAPT (0.47) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL481451 0.79 MAPT (0.65) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL165227 0.79 MAPT (0.65) MAPTALDH1A1KDM4EL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443099-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT BASF SE (DE) 2012-04-25 EP disclosed
US-20120088664-A1 Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent BASF SE (DE) 2012-04-12 US disclosed
WO-2010146113-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT BASF SE (DE) 2010-12-23 WO disclosed
US-5057532-A Fungicides, plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1991-10-15 US disclosed
EP-0390022-A2 Azolyl ethyl cyclopropanes, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1990-10-03 EP disclosed
EP-0062772-A2 Regioselective preparation of triazolylvinyl ketones and the intermediates therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-20 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 (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-20120088664-A1 Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent STS, TST, ERG28 MAPT 2572/4885ALDH1A1 1568/4885KDM4E 1818/4885

“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.