SCHEMBL18812939

SCHEMBL18812939

CCCC1(CCC)c2cc(C(=NO)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ TYR P14679 1/20 0.33

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
SCHEMBL17084347 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084307 0.92 NPC1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17056217 0.87 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL18218064 0.87 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084348 0.87 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084338 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084311 0.85 NPC1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084345 0.84 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084342 0.83 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084344 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3165965-B1 PHOTOSENSITIVE COMPOSITION AND COMPOUND TOKYO OHKA KOGYO CO LTD (JP) 2018-10-10 — — EP disclosed
US-20170160636-A1 PHOTOSENSITIVE COMPOSITION AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-08 — — US disclosed
EP-3165965-A1 PHOTOSENSITIVE COMPOSITION AND COMPOUND Tokyo Ohka Kogyo Co., Ltd. (JP) 2017-05-10 — — 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-20170160636-A1 PHOTOSENSITIVE COMPOSITION AND COMPOUND C1R, CRY1, C1S NPC1 1861/4885RAB9A 2362/4885SMN1; SMN2 3944/4885

“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.

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