SCHEMBL17773147

SCHEMBL17773147

CC(C)c1cncc(-c2ccco2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
PTGS1 P23219 1/20 0.42
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNB3 Q05901 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL4136229 0.77 CHRNB1 (0.44) TAAR1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL10080952 0.77 PRMT6 (0.50) TAAR1PTGS1ALDH1A1HPGDKDM4E
SCHEMBL16775708 0.76 LMNA (0.46) MEN1LMNAKMT2APKM
SCHEMBL27773463 0.75 CHRNB1 (0.51) PTGS1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL10248275 0.74 TAAR1 (0.61) TAAR1PTGS1ALDH1A1HPGDHSD17B10
SCHEMBL17773168 0.74 KEAP1 (0.47) TAAR1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL14908895 0.74 PIK3R1 (0.46) TAAR1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL4136225 0.74 ALDH1A1 (0.41) TAAR1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7060329 0.74 MAPT (0.45) TAAR1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL24726645 0.73 TAAR1 (0.42) TAAR1PTGS1TP53PIK3R1PIK3CA

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-10662183-B2 Inhibitors of myocardin-related transcription factor and serum response factor (MRTF/SRF)-mediated gene transcription and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-05-26 US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-20160145251-A1 INHIBITORS OF MYOCARDIN-RELATED TRANSCRIPTION FACTOR AND SERUM RESPONSE FACTOR (MRTF/SRF)-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2016-05-26 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-20160145251-A1 INHIBITORS OF MYOCARDIN-RELATED TRANSCRIPTION FACTOR AND SERUM RESPONSE FACTOR (MRTF/SRF)-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME SREBF1, SREBF2, BPTF TAAR1 2935/4885PTGS1 1213/4885CHRNB1 3181/4885
US-10662183-B2 Inhibitors of myocardin-related transcription factor and serum response factor (MRTF/SRF)-mediated gene transcription and methods for use of the same SREBF1, SREBF2, BPTF TAAR1 2935/4885PTGS1 1213/4885CHRNB1 3181/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B TAAR1 4809/4885PTGS1 692/4885CHRNB1 4320/4885

“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.