SCHEMBL16447378

SCHEMBL16447378

NCc1ccc(CC2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
CCL2 P13500 1/20 0.42
TSHR P16473 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCF1 P14598 1/20 0.39
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
GBA1 P04062 1/20 0.37
CNR2 P34972 2/20 0.37
ABAT P80404 1/20 0.37
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2627277 0.84 MEN1 (0.43) BRD4CCL2TSHRLOXL2GBA1
SCHEMBL2251358 0.80 TSHR (0.41) BRD4CCL2TSHRLMNASMN1; SMN2
SCHEMBL5159194 0.80 BRD4 (0.42) BRD4CCL2TSHRLMNAGBA1
SCHEMBL10546238 0.80 GRIN2B (0.43)
SCHEMBL18648163 0.80 BRD4 (0.42) BRD4CCL2TSHRLMNASMN1; SMN2
SCHEMBL2248498 0.80 TSHR (0.41) BRD4CCL2TSHRLMNASMN1; SMN2
SCHEMBL16861714 0.80 MAPK1 (0.50) TSHRNPSR1MAPK1
SCHEMBL10229753 0.79 LTA4H (0.46) HRH3PRMT3CARM1PRMT6PRMT1
SCHEMBL5522664 0.79 GBA1 (0.59) TSHRLMNASMN1; SMN2NPSR1PRMT3
Hydrochloric Acid SCHEMBL507883 0.78 LTA4H (0.45) HRH3PRMT3CARM1PRMT6PRMT1

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
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
WO-2015014993-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-02-05 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 (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-20160185774-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 BRD4 62/4885CCL2 249/4885TSHR 2884/4885

“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.