SCHEMBL4946903

SCHEMBL4946903

Cc1cc(C(=O)O)ccc1C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.54
S1PR1 P21453 1/20 0.47
CREBBP Q92793 1/20 0.45
MYC P01106 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
PTPN7 P35236 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.42
GRM1 Q13255 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL4951622 0.98 KMO (0.57) KMOS1PR1CREBBPMYCESR1
SCHEMBL10148368 0.93 CREBBP (0.50) KMOCREBBPMYCESR1ALOX15
SCHEMBL18304697 0.85 KMO (0.53) KMOS1PR1CREBBPHSD17B10TSHR
SCHEMBL24209020 0.85 ALDH1A1 (0.47) KMOCREBBPALOX15KMT2ATDP1
SCHEMBL28601823 0.85 ALDH1A1 (0.47) KMOCREBBPALOX15KMT2ATDP1
SCHEMBL4572063 0.83 KMO (0.46) KMOS1PR1CREBBPMYCESR1
SCHEMBL4946893 0.82 SMN1; SMN2 (0.50) KMT2ATDP1MEN1CYP1A2NPC1
SCHEMBL11894061 0.81 TDP1 (0.43) KMOS1PR1CREBBPMYCESR1
SCHEMBL18459668 0.81 SMN1; SMN2 (0.52) KMT2ATDP1MEN1CYP1A2NPC1
SCHEMBL13163577 0.80 GRM7 (0.43) KMOCREBBPMYCESR1ALOX15

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-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 KMO 1360/4885S1PR1 1/4885CREBBP 1334/4885
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 KMO 923/4885S1PR1 1/4885CREBBP 1489/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 KMO 1442/4885S1PR1 1/4885CREBBP 578/4885

“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.