SCHEMBL15601796

SCHEMBL15601796

CC(C)(C)c1ccc(C(=O)CCN2CCOCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.68
▸ ALDH1A1 P00352 6/20 0.68
▸ MAPT P10636 6/20 0.68
▸ LMNA P02545 2/20 0.66
▸ MPI P34949 1/20 0.66
▸ MEN1 O00255 2/20 0.64
▸ THRB P10828 3/20 0.60
▸ THRA P10827 2/20 0.60
▸ TP53 P04637 1/20 0.58
▸ ALDH3A1 P30838 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ SIGMAR1 Q99720 1/20 0.56

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
SCHEMBL9512833 0.88 ALDH1A1 (0.84) KMT2AALDH1A1MAPTLMNAMPI
SCHEMBL12125282 0.86 ALDH1A1 (0.68) KMT2AALDH1A1MAPTLMNAMPI
SCHEMBL12123647 0.85 ALDH1A1 (0.65) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL13155199 0.84 ALDH1A1 (0.64) KMT2AALDH1A1MAPTLMNAMPI
SCHEMBL12123790 0.84 ALDH1A1 (0.73) KMT2AALDH1A1MAPTLMNAMPI
Hydrochloric Acid SCHEMBL7932182 0.82 ALDH1A1 (0.74) KMT2AALDH1A1MAPTLMNAMPI
SCHEMBL17886723 0.82 HPGD (0.67) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL12123771 0.81 ALDH1A1 (0.73) KMT2AALDH1A1MAPTLMNAMPI
SCHEMBL7255774 0.81 ALDH1A1 (1.00) KMT2AALDH1A1MAPTLMNAMPI
SCHEMBL12123789 0.81 ALDH1A1 (0.97) KMT2AALDH1A1MAPTLMNAMPI

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-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 — — US disclosed
EP-2865381-A1 ITK inhibitors for treating blood cell malignancies Pharmacyclics, Inc. (US) 2015-04-29 — — EP disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 — — 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-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK KMT2A 1458/4885ALDH1A1 4370/4885MAPT 3284/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK KMT2A 1458/4885ALDH1A1 4370/4885MAPT 3284/4885

“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.

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