SCHEMBL20824974

SCHEMBL20824974

NCCCCOC(=O)CCCN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
HTR2C P28335 1/20 0.48
DGKA P23743 1/20 0.45
THRB P10828 3/20 0.44
BLM P54132 3/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 2/20 0.44
GABRR3 A8MPY1 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
HDAC3 O15379 1/20 0.44
GABBR2 O75899 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRR1 P24046 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRR2 P28476 1/20 0.44

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
SCHEMBL7588093 0.98 CYP1A2 (0.64) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL26946426 0.95 CYP1A2 (0.61) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL27588223 0.93 DGKA (0.54) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL11853523 0.93 DGKA (0.54) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL11847129 0.93 DGKA (0.54) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL3764429 0.93 DGKA (0.54) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL20417368 0.93 CYP1A2 (0.64) CYP1A2HTR2CDGKATHRBBLM
Hydrochloric Acid SCHEMBL11847579 0.91 DGKA (0.52) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL27820695 0.91 HTR2C (0.58) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL11859829 0.88 CYP1A2 (0.54) CYP1A2HTR2CDGKATHRBBLM

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-20200277449-A1 INJECTABLE HYBRID ALGINATE HYDROGELS AND USES THEREOF UNIV STRASBOURG (FR) 2020-09-03 US disclosed
US-20200138711-A1 INJECTABLE HYDROGELS AND USES THEREOF IHU STRASBOURG INSTITUT HOSPITALO-UNIVERSITAIRE DE STRASBOURG (FR) 2020-05-07 US disclosed
WO-2019053269-A1 INJECTABLE HYBRID ALGINATE HYDROGELS AND USES THEREOF UNIVERSITÉ DE STRASBOURG (FR) 2019-03-21 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-20200138711-A1 INJECTABLE HYDROGELS AND USES THEREOF CUTA, CD44, PLOD3 CYP1A2 2350/4885HTR2C 4671/4885DGKA 2938/4885
US-20200277449-A1 INJECTABLE HYBRID ALGINATE HYDROGELS AND USES THEREOF SI, ALPI, PIGS CYP1A2 3912/4885HTR2C 4724/4885DGKA 2436/4885

“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.