SCHEMBL19251044

SCHEMBL19251044

COc1ccc(C(C)(C)C)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
THRB P10828 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 3/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
MCL1 Q07820 1/20 0.52
CYP3A4 P08684 3/20 0.48
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
MAPK1 P28482 1/20 0.43
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 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
SCHEMBL3576845 0.86 ALDH1A1 (0.55) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL7258652 0.85 NR4A1 (0.54) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL16372579 0.83 ALDH1A1 (0.53) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL9385964 0.82 ALDH1A1 (0.52) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL10320491 0.80 CA1 (0.56) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL5958765 0.79 ALDH1A1 (0.48) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL3229459 0.78 CA1 (0.48) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL15958889 0.78 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1NCF1
SCHEMBL19438416 0.77 NR1H4 (0.43) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL31525792 0.77 CA1 (0.58) ALDH1A1MEN1MAPTTHRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058785-A Metal complex, preparation method thereof and olefin polymerization method 万华化学集团股份有限公司 2025-05-30 CN claimed
CN-120058785-A Metal complex, preparation method thereof and olefin polymerization method 万华化学集团股份有限公司 2025-05-30 CN disclosed
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
CN-1162427-C Amine derivatives compounds ������������ʽ���� 2004-08-18 CN disclosed
CN-1354750-A Amine derivatives compounds SANKYO CO (JP) 2002-06-19 CN 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 (4 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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 ALDH1A1 511/4885MEN1 4756/4885MAPT 710/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 ALDH1A1 511/4885MEN1 4756/4885MAPT 710/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 ALDH1A1 458/4885MEN1 4747/4885MAPT 765/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 ALDH1A1 511/4885MEN1 4756/4885MAPT 710/4885

“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.