SCHEMBL10144788

SCHEMBL10144788

NCCNC(=O)C(N)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
TAAR1 Q96RJ0 2/20 0.40
HTR3A P46098 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
GRIA1 P42261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRND Q07001 4/20 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
Hydrochloric Acid SCHEMBL11492383 0.98 CNR1 (0.44) CNR1CNR2TAAR1HTR3ATSHR
Hydrochloric Acid SCHEMBL11490445 0.85 CNR1 (0.44) CNR1CNR2TAAR1HTR3ATSHR
SCHEMBL11480826 0.81 HPGD (0.46) CNR1CNR2KDM4E
SCHEMBL2944289 0.81 CNR1 (0.41) CNR1CNR2
SCHEMBL27538428 0.81 CNR1 (0.41) CNR1CNR2
SCHEMBL9328613 0.81 ESR1 (0.42) CNR1CNR2TAAR1HIF1AKDM4E
SCHEMBL11485573 0.80 ALDH1A1 (0.48) CNR1CNR2TSHRNFKB1KDM4E
SCHEMBL11488043 0.79 SLC7A5 (0.43)
Hydrochloric Acid SCHEMBL11480409 0.78 SLC7A5 (0.42)
Hydrochloric Acid SCHEMBL11482322 0.78 CNR1 (0.41) CNR1CNR2HIF1AKDM4EALOX15

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-9109090-B2 Amino acid-modified organopolysiloxane, making method, and cosmetics SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-08-18 US disclosed
EP-2441790-B1 Amino acid-modified organopolysiloxane, making method, and cosmetics SHINETSU CHEMICAL CO (JP) 2014-08-06 EP disclosed
US-20120093746-A1 AMINO ACID-MODIFIED ORGANOPOLYSILOXANE, MAKING METHOD, AND COSMETICS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-19 US disclosed
EP-2441790-A1 Amino acid-modified organopolysiloxane, making method, and cosmetics Shin-Etsu Chemical Co., Ltd. (JP) 2012-04-18 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 (1 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-20120093746-A1 AMINO ACID-MODIFIED ORGANOPOLYSILOXANE, MAKING METHOD, AND COSMETICS DAO, AADAT, BCAT2 CNR1 4795/4885CNR2 4816/4885TAAR1 754/4885

“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.