SCHEMBL17773178

SCHEMBL17773178

CC(C)(C)C(=O)c1ccc2cc[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.64
▸ HSD17B10 Q99714 3/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ ENPP2 Q13822 2/20 0.64
▸ TAS1R3 Q7RTX0 1/20 0.50
▸ TAS1R1 Q7RTX1 1/20 0.50
▸ TYR P14679 1/20 0.47
▸ ESR1 P03372 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ GHSR Q92847 2/20 0.47
▸ ALOX12 P18054 1/20 0.45
▸ MAPK14 Q16539 2/20 0.44
▸ MAPK11 Q15759 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ AHR P35869 2/20 0.43

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
SCHEMBL17773173 0.86 RAB9A (0.54) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL121922 0.80 ALDH1A1 (0.70) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL12663938 0.79 MAPK14 (0.44) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL8110667 0.79 KDM4E (0.58) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL11887259 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL8304483 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL29583385 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL50542 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL4595294 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL16722810 0.77 CES2 (0.46) ALDH1A1HSD17B10KDM4EHPGDMAPT

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-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 — — US disclosed
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-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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 ALDH1A1 3246/4885HSD17B10 2418/4885KDM4E 1284/4885
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 ALDH1A1 2475/4885HSD17B10 2374/4885KDM4E 1489/4885
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 ALDH1A1 2475/4885HSD17B10 2374/4885KDM4E 1489/4885

“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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