SCHEMBL5756540

SCHEMBL5756540

Oc1nncc(N2CCCCC2)c1N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 4/20 0.35
NR1I2 O75469 2/20 0.35
SMARCA2 P51531 2/20 0.35
SMARCA4 P51532 2/20 0.35
PBRM1 Q86U86 2/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.33
KEAP1 Q14145 1/20 0.32
MAPK1 P28482 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPB Q9Y5S2 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5761337 1.00 ALDH1A1 (0.35) ALDH1A1NPC1RAB9APOLBNR1I2
Hydrochloric Acid SCHEMBL5754916 0.98 ALDH1A1 (0.34) ALDH1A1NPC1RAB9APOLBNR1I2
SCHEMBL5759783 0.98 NR1I2 (0.33) ALDH1A1NPC1RAB9APOLBNR1I2
Hydrochloric Acid SCHEMBL5754089 0.96 NR1I2 (0.33) ALDH1A1NPC1RAB9APOLBNR1I2
SCHEMBL985163 0.82 ALDH1A1 (0.38) ALDH1A1POLBMAPTSMN1; SMN2GAA
SCHEMBL5759411 0.82 ADRB2 (0.43) ALDH1A1SMARCA2SMARCA4PBRM1
Hydrochloric Acid SCHEMBL5249555 0.81 ALDH1A1 (0.37) ALDH1A1POLBMAPTSMN1; SMN2GAA
SCHEMBL6824239 0.72 NR1I2 (0.36) ALDH1A1NPC1POLBNR1I2SMARCA2
SCHEMBL5758464 0.72 ROCK2 (0.40) ALDH1A1NPC1POLBNR1I2SMARCA2
SCHEMBL5757261 0.69 ROCK2 (0.38) NPC1NR1I2SMARCA2SMARCA4PBRM1

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 ALDH1A1 2169/4885NPC1 3973/4885RAB9A 2880/4885

“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.