SCHEMBL21026702

SCHEMBL21026702

CC(C)c1ccc(-c2cn(CCN(C)C)nn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.50
USP1 O94782 1/20 0.44
TGFBR1 P36897 1/20 0.42
ALOX5 P09917 1/20 0.42
CASR P41180 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC6 Q9UBN7 6/20 0.41
HDAC3 O15379 5/20 0.41
HDAC4 P56524 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC7 Q8WUI4 5/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
HDAC9 Q9UKV0 5/20 0.41
HDAC5 Q9UQL6 5/20 0.41
PTGS2 P35354 2/20 0.38
SRC P12931 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL18356652 0.84 SRC (0.54) ESRRGALOX5NR1H4HDAC8HDAC6
SCHEMBL20644665 0.77 ESRRG (0.55) ESRRGALOX5NR1H4SRCCYP19A1
SCHEMBL20982817 0.76 ESRRG (0.43) ESRRGUSP1ALOX5NR1H4HDAC8
SCHEMBL23329321 0.75 ESRRG (0.46) ESRRGCYP19A1
SCHEMBL28814269 0.73 ESRRG (0.77) ESRRGPTGS2CYP19A1MEN1KMT2A
SCHEMBL27983571 0.73 ESRRG (0.69) ESRRGPTGS2CYP19A1MEN1KMT2A
SCHEMBL28814333 0.72 ESRRG (0.71) ESRRGPTGS2CYP19A1MEN1KMT2A
SCHEMBL18095113 0.72 DRD2 (0.52) ESRRGUSP1
SCHEMBL21286389 0.71 HDAC8 (0.55) ALOX5NR1H4HDAC8HDAC6HDAC3
SCHEMBL27983601 0.71 CYP19A1 (0.72) ESRRGHDAC8HDAC6PTGS2CYP19A1

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-10934303-B2 Aryl ethene derivative and pharmaceutical composition containing same as active ingredient DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-03-02 US disclosed
US-20190167820-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HWANG SUNG YEOUN (KR) 2019-06-06 US disclosed
US-20190161490-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT NOVMETAPHARMA CO., LTD. (KR) 2019-05-30 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-20190167820-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ESRRG, ESR2, ESR1 ESRRG 1/4885USP1 1088/4885TGFBR1 1965/4885
US-20190161490-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ESRRG, ESR2, ESR1 ESRRG 1/4885USP1 1088/4885TGFBR1 1965/4885
US-10934303-B2 Aryl ethene derivative and pharmaceutical composition containing same as active ingredient ESRRG, ESR1, ESR2 ESRRG 1/4885USP1 896/4885TGFBR1 1817/4885

“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.