SCHEMBL17899528

SCHEMBL17899528

CC1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
RAB9A P51151 5/20 0.65
NPC1 O15118 4/20 0.65
MAPK1 P28482 3/20 0.65
HTT P42858 3/20 0.65
HSP90AA1 P07900 1/20 0.65
LMNA P02545 4/20 0.54
MITF O75030 1/20 0.54
NSD2 O96028 1/20 0.54
ATM Q13315 1/20 0.54
DRD3 P35462 1/20 0.54
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
EGFR P00533 2/20 0.49
XDH P47989 1/20 0.49
ALDH1A1 P00352 3/20 0.49
PKM P14618 2/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL15436912 0.84 MAPT (0.67) MAPTRAB9ANPC1MAPK1HTT
SCHEMBL10977635 0.82 MAPT (0.65) MAPTRAB9ANPC1MAPK1HTT
SCHEMBL21028263 0.82 MAPT (0.65) MAPTRAB9ANPC1MAPK1HTT
SCHEMBL10977632 0.82 MAPT (0.65) MAPTRAB9ANPC1MAPK1HTT
SCHEMBL9448690 0.82 MAPT (0.65) MAPTRAB9ANPC1MAPK1HTT
SCHEMBL9448683 0.82 MAPT (0.65) MAPTRAB9ANPC1MAPK1HTT
SCHEMBL14012043 0.81 MAPT (0.69) MAPTRAB9ANPC1MAPK1HTT
SCHEMBL16807421 0.81 MAPT (0.69) MAPTRAB9ANPC1MAPK1HTT
SCHEMBL17899567 0.81 DRD3 (0.50) MAPTRAB9ANPC1MAPK1HTT
SCHEMBL17899550 0.81 MAPT (0.57) MAPTRAB9ANPC1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2023-11-09 US disclosed
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2023-11-09 US disclosed
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2023-07-25 US disclosed
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2023-07-25 US disclosed
WO-2016109470-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR PROTEINS AND THEIR USE IN THE TREATMENT OF CANCER BAYLOR COLLEGE OF MEDICINE (US) 2016-07-07 WO 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-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents NCOA3, FABP3, NCOA1 MAPT 4809/4885RAB9A 4198/4885NPC1 4666/4885
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS NCOA3, FABP3, NCOA1 MAPT 4809/4885RAB9A 4198/4885NPC1 4666/4885

“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.