SCHEMBL20115403

SCHEMBL20115403

CSCc1cccc(C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 2/20 0.40
HTT P42858 2/20 0.40
MDM4 O15151 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
TYR P14679 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CA5A P35218 1/20 0.40
MDM2 Q00987 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC2 Q92769 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
SCHEMBL10178512 0.83 HDAC4 (0.47) HDAC4HDAC8ALDH1A1HPGDALOX15
SCHEMBL12394804 0.82 HDAC4 (0.39) HDAC4HDAC8KDM4EALDH1A1ALOX12
SCHEMBL20998534 0.82 KIF11 (0.40) HDAC4HDAC8KDM4EALDH1A1ALOX12
SCHEMBL3014825 0.80 SLC11A2 (0.46) KDM4EALDH1A1ALOX12HTTMAPT
SCHEMBL12417818 0.79 HDAC4 (0.37) HDAC4HDAC8KDM4EALDH1A1ALOX12
SCHEMBL24305743 0.77 HDAC4 (0.38) HDAC4HDAC8KDM4EALDH1A1ALOX12
SCHEMBL31190190 0.77 CYP1A2 (0.45) HDAC4HDAC8KDM4EALDH1A1ALOX12
SCHEMBL598569 0.77 CYP1A2 (0.45) HDAC4HDAC8KDM4EALDH1A1ALOX12
SCHEMBL24938809 0.77 BCHE (0.46) HDAC4HDAC8KDM4EALDH1A1ALOX12
SCHEMBL2921664 0.75 HDAC4 (0.42) HDAC4HDAC8KDM4EALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders IMMUNOGEN, INC. (US) 2023-10-24 US disclosed
US-20180123043-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-05-03 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-20180123043-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME ASH2L, EHMT2, H1-2 HDAC4 2265/4885HDAC8 2870/4885KDM4E 299/4885
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders MKI67, GABBR1, GABBR2 HDAC4 813/4885HDAC8 1453/4885KDM4E 908/4885

“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.