SCHEMBL18122996

SCHEMBL18122996

CCCC1(CCC)c2cc(C(=O)/C(=N/OC(C)=O)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.43
▸ RAB9A P51151 8/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 6/20 0.33
▸ MAPT P10636 4/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GLO1 Q04760 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL18218064 0.90 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL17056217 0.90 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL18123006 0.88 PDK2 (0.33) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL26443682 0.88 PDK2 (0.33) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL18122992 0.87 ALDH1A1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL25911827 0.86 PDK2 (0.35) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL17056218 0.83 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL17084348 0.82 SMN1; SMN2 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL17084321 0.82 MAPT (0.36) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL18122989 0.82 MAPT (0.36) NPC1RAB9AALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239922-A1 PHOTOCURABLE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-07-18 — — US disclosed
US-20230242692-A1 COMPOSITION AND CURED PRODUCT TOKYO OHKA KOGYO CO., LTD. (JP) 2023-08-03 — — US disclosed
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-17 — — US disclosed
US-20180187010-A1 SILICON-CONTAINING RESIN COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-05 — — US disclosed
US-9981914-B2 — — 2018-05-29 — — US disclosed
US-20180113383-A1 COLORING AGENT DISPERSION, PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, ORGANIC EL ELEMENT, METHOD FOR FORMING PATTERN, AND METHOD FOR PRODUCING PHOTOSENSITIVE RESIN COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2018-04-26 — — US disclosed
US-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT TOKYO OHKA KOGYO CO., LTD. (JP) 2018-03-29 — — US disclosed
US-20170160636-A1 PHOTOSENSITIVE COMPOSITION AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-08 — — US disclosed
US-20170160636-A1 PHOTOSENSITIVE COMPOSITION AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-08 — — US disclosed
WO-2017007010-A1 SILICON-CONTAINING RESIN COMPOSITION 東京応化工業株式会社 2017-01-12 — — WO disclosed
WO-2016158679-A1 ENERGY-SENSITIVE RESIN COMPOSITION 東京応化工業株式会社 2016-10-06 — — 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 (4 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-20180187010-A1 SILICON-CONTAINING RESIN COMPOSITION CROCC, SRI, SEM1 NPC1 2951/4885RAB9A 2345/4885ALDH1A1 2703/4885
US-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT SLC9A2, SLC9A1, NHERF1 NPC1 2457/4885RAB9A 362/4885ALDH1A1 3686/4885
US-20170160636-A1 PHOTOSENSITIVE COMPOSITION AND COMPOUND C1R, CRY1, C1S NPC1 1861/4885RAB9A 2362/4885ALDH1A1 1305/4885
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element SLC9A2, SLC9A1, NHERF1 NPC1 2457/4885RAB9A 362/4885ALDH1A1 3686/4885

“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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