SCHEMBL5758464

SCHEMBL5758464

Oc1nnccc1N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.40
ROCK1 Q13464 4/20 0.40
CDC42BPB Q9Y5S2 4/20 0.40
NR1I2 O75469 2/20 0.39
SMARCA2 P51531 2/20 0.39
SMARCA4 P51532 2/20 0.39
PBRM1 Q86U86 2/20 0.39
HPGD P15428 1/20 0.38
CHKA P35790 2/20 0.38
KEAP1 Q14145 1/20 0.37
CDK8 P49336 1/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 2/20 0.36
ALOX15 P16050 2/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
CDC42BPA Q5VT25 2/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL5757261 0.98 ROCK2 (0.38) ROCK2ROCK1CDC42BPBNR1I2SMARCA2
SCHEMBL5755967 0.81 PIK3CA (0.42) ROCK2ROCK1CDC42BPBALDH1A1GAA
SCHEMBL3661313 0.81 NCF1 (0.45) ROCK1CDC42BPBSMARCA2SMARCA4PBRM1
SCHEMBL3914434 0.77 ROCK2 (0.40) ROCK2ROCK1CDC42BPBHPGDCHKA
SCHEMBL27541567 0.77 CHKA (0.45) ROCK2ROCK1CDC42BPBHPGDCHKA
SCHEMBL30476667 0.74 SMARCA2 (0.44) ROCK2ROCK1CDC42BPBNR1I2SMARCA2
SCHEMBL2096944 0.73 PIM1 (0.50) KEAP1MAPK1NPC1CYP1A2PIM1
SCHEMBL5756540 0.72 ALDH1A1 (0.35) ROCK2ROCK1CDC42BPBNR1I2SMARCA2
SCHEMBL5761337 0.72 ALDH1A1 (0.35) ROCK2ROCK1CDC42BPBNR1I2SMARCA2
Hydrochloric Acid SCHEMBL5754916 0.70 ALDH1A1 (0.34) ROCK2ROCK1CDC42BPBNR1I2SMARCA2

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 5 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 claimed
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 ROCK2 4109/4885ROCK1 4170/4885CDC42BPB 4624/4885

“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.