SCHEMBL1928093

SCHEMBL1928093

CCCN(C(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
TP53 P04637 1/20 0.54
ADRA2C P18825 1/20 0.54
ALDH1A1 P00352 3/20 0.53
ADRB2 P07550 1/20 0.53
HPGD P15428 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
MLYCD O95822 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GLA P06280 1/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
JAK2 O60674 1/20 0.47
PAX8 Q06710 1/20 0.47
PTGIR P43119 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 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
SCHEMBL9001626 0.90 ADRA2C (0.65) TP53ADRA2CALDH1A1ADRB2HPGD
SCHEMBL9809224 0.87 HPGD (0.66) PKMTP53ALDH1A1HPGDMEN1
SCHEMBL1926647 0.86 ADRA2C (0.53) TP53ADRA2CALDH1A1ADRB2HPGD
SCHEMBL16125620 0.83 HDAC6 (0.63) ADRA2CALDH1A1ADRB2HPGD
SCHEMBL1926257 0.83 TRPM8 (0.64) ADRA2CALDH1A1ADRB2HPGDMEN1
SCHEMBL16125622 0.83 ALDH1A1 (0.53) TP53ADRA2CALDH1A1ADRB2HPGD
SCHEMBL13386233 0.83 CNR2 (0.63) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6569544 0.82 PKM (0.56) PKMADRA2CALDH1A1HPGDMEN1
SCHEMBL12876177 0.82 ADRA2C (0.52) PKMTP53ADRA2CALDH1A1ADRB2
SCHEMBL12031549 0.81 NPC1 (0.67) PKMALDH1A1MEN1KMT2ASMN1; SMN2

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-8257611-B2 Optical film and retardation sheet, and liquid crystal compound FUJIFILM CORPORATION (JP) 2012-09-04 US disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 US disclosed
US-20100045901-A1 OPTICAL FILM AND RETARDATION SHEET, AND LIQUID CRYSTAL COMPOUND FUJIFILM CORPORATION (JP) 2010-02-25 US disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 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 (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-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD PKM 3582/4885TP53 64/4885ADRA2C 4297/4885
US-20100045901-A1 OPTICAL FILM AND RETARDATION SHEET, AND LIQUID CRYSTAL COMPOUND C1R, CCNA1, C5 PKM 4199/4885TP53 2713/4885ADRA2C 1099/4885

“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.