SCHEMBL5756006

SCHEMBL5756006

OCCNc1ccc(NCCO)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 2/20 0.53
TNF P01375 1/20 0.53
NLRP3 Q96P20 1/20 0.53
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.45
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
TTR P02766 1/20 0.41
GLA P06280 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MEN1 O00255 1/20 0.39

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 SCHEMBL5756281 0.97 IL1B (0.51) IL1BTNFNLRP3KDM4EGAA
SCHEMBL3298983 0.87 IL1B (0.45) IL1BTNFNLRP3KDM4EGAA
SCHEMBL20037454 0.87 IL1B (0.45) IL1BTNFNLRP3KDM4EGAA
SCHEMBL1852259 0.87 IL1B (0.53) IL1BTNFNLRP3KDM4EGAA
SCHEMBL10533786 0.87 IL1B (0.45) IL1BTNFNLRP3KDM4EGAA
SCHEMBL18291573 0.82 IL1B (0.42) IL1BTNFNLRP3KDM4EGAA
SCHEMBL20249219 0.82 IL1B (0.42) IL1BTNFNLRP3KDM4EGAA
SCHEMBL1752790 0.81 ACHE (0.58) IL1BTNFNLRP3RAB9A
SCHEMBL11228726 0.78 IL1B (0.49) IL1BTNFNLRP3CYP2D6CYP2C19
SCHEMBL13365646 0.78 KDM4E (0.61) IL1BTNFNLRP3KDM4EGAA

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-1266651-B1 UV absorbing and photostabilizing agents and compositions and external preparation for skin SHISEIDO CO LTD (JP) 2006-09-06 EP disclosed
US-6676932-B2 CONTAINING PYRIDAZINE DERIVATIVE SUNSCREEN AGENT SHISEIDO CO., LTD. (JP) 2004-01-13 US disclosed
US-20030198608-A1 Ultraviolet absorbent, photostabilizer, ultraviolet ray-absorbing composition, photostabilized composition and external prepraration for skin SHISEIDO CO., LTD. (JP) 2003-10-23 US disclosed
EP-1266651-A2 UV absorbing and photostabilizing agents and compositions and external preparation for skin SHISEIDO COMPANY LIMITED (JP) 2002-12-18 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-20030198608-A1 Ultraviolet absorbent, photostabilizer, ultraviolet ray-absorbing composition, photostabilized composition and external prepraration for skin SUN2, UPF1, RRM1 IL1B 3435/4885TNF 4396/4885NLRP3 721/4885

“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.