SCHEMBL4537122

SCHEMBL4537122

O=C1C2CC=CCC2C(=O)N1CCCCl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 1/20 0.51
ESR1 P03372 1/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA4 P22748 1/20 0.45
ATM Q13315 1/20 0.44
CA12 O43570 1/20 0.44
TP53 P04637 3/20 0.44
HSD17B10 Q99714 3/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL21168596 0.86 ALDH1A1 (0.61) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL17532418 0.83 ALDH1A1 (0.57) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL9179752 0.81 ALDH1A1 (0.47) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL5427844 0.81 ALDH1A1 (0.47) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL9181557 0.81 HTT (0.54) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL9179747 0.81 ALDH1A1 (0.47) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL13606476 0.81 SMN1; SMN2 (0.50) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL9181566 0.81 HTT (0.54) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL11860195 0.79 ALDH1A1 (0.50) ALDH1A1HPGDKMT2ATDP1MEN1
SCHEMBL9513818 0.79 ALDH1A1 (0.50) ALDH1A1HPGDKMT2ATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US disclosed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US disclosed
WO-2007029156-A2 ISOINDOLEDIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed
EP-0940390-B1 [6-(Substituted-methyl)-3-cyclohexenyl]formamide derivative, hair growth promoter and external composition for skin SHISEIDO CO LTD (JP) 2002-07-17 EP disclosed
US-6174885-B1 IMPROVEMENT OR PREVENTION OF HAIR LOSS IN MAMMALS AND, IN PARTICULAR, IN HUMAN SHISEIDO CO., LTD. (JP) 2001-01-16 US disclosed
EP-0940390-A1 6- (Substituted-methyl) -3- cyclohexenyl formamide derivative, hair growth promoter and external composition for skin SHISEIDO COMPANY LIMITED (JP) 1999-09-08 EP 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-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists ADRA1D, ADRA1A, ADRB1 ALDH1A1 51/4885HPGD 212/4885KMT2A 3012/4885
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A ALDH1A1 50/4885HPGD 131/4885KMT2A 1424/4885

“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.