SCHEMBL20782071

SCHEMBL20782071

CC(C)Cc1cccc(Nc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ AR P10275 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HSD17B10 Q99714 5/20 0.47
▸ TSHR P16473 4/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ ALOX15 P16050 3/20 0.47
▸ ALOX12 P18054 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL26115849 0.94 RAPGEF4 (0.43) ALDH1A1MEN1MAPTKMT2AAR
Diphenylamine SCHEMBL28839542 0.88 HSD17B10 (0.53) ALDH1A1HSD17B10TSHRCYP3A4ALOX15
SCHEMBL3854273 0.82 ALDH1A1 (0.56) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL12281903 0.81 GABRA1 (0.40) TSHRSLC6A2TAAR1MAOASLC6A4
SCHEMBL12019921 0.81 RAPGEF4 (0.44) NPSR1L3MBTL1GAATAAR1P2RX3
SCHEMBL18715948 0.80 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2AAR
SCHEMBL20374364 0.79 TDP1 (0.48) ALDH1A1MEN1KMT2AHSD17B10TSHR
SCHEMBL4701514 0.79 RAPGEF4 (0.61) ALDH1A1MEN1MAPTKMT2AAR
SCHEMBL29014934 0.78 ALDH1A1 (0.42) ALDH1A1MEN1MAPTKMT2AAR
SCHEMBL18338171 0.78 SIGMAR1 (0.41) MAPTCYP3A4LMNATHRBSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 — — 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 (3 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-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 ALDH1A1 1808/4885MEN1 1298/4885MAPT 2002/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 ALDH1A1 1808/4885MEN1 1298/4885MAPT 2002/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 ALDH1A1 1808/4885MEN1 1298/4885MAPT 2002/4885

“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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