SCHEMBL20117329

SCHEMBL20117329

C/C=C\c1c(C)cccc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 2/20 0.40
ACHE P22303 1/20 0.40
CXCR5 P32302 2/20 0.40
ALDH1A1 P00352 5/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
RAF1 P04049 2/20 0.38
TRPA1 O75762 2/20 0.35
CD44 P16070 1/20 0.35
ATM Q13315 1/20 0.35
APLNR P35414 1/20 0.34
AHR P35869 1/20 0.33
KIF11 P52732 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
SCHEMBL458856 1.00 CYP2A6 (0.41) CYP2A6CYP1A2TSHRACHECXCR5
SCHEMBL674402 1.00 CYP2A6 (0.41) CYP2A6CYP1A2TSHRACHECXCR5
SCHEMBL23838378 0.84 CXCR5 (0.35) CYP2A6CYP1A2TSHRACHECXCR5
SCHEMBL19956861 0.84 CXCR5 (0.35) CYP2A6CYP1A2TSHRACHECXCR5
SCHEMBL10765760 0.84 TRPA1 (0.48) CYP2A6CYP1A2CXCR5ALDH1A1CA1
SCHEMBL18568016 0.84 KMT2A (0.43) CYP2A6CYP1A2CXCR5ALDH1A1TDP1
SCHEMBL10767153 0.84 TRPA1 (0.48) CYP2A6CYP1A2CXCR5ALDH1A1CA1
SCHEMBL12656511 0.84 ACHE (0.46) CYP2A6CYP1A2ACHECXCR5TDP1
SCHEMBL12825541 0.84 CD44 (0.48) CYP2A6CYP1A2TSHRACHECXCR5
SCHEMBL20216099 0.82 APLNR (0.37) CYP1A2TSHRACHECXCR5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384381-B2 Reaction accelerating agent KIKKOMAN CORPORATION (JP) 2022-07-12 US disclosed
US-20220145172-A1 POLYMERIC ORGANIC NANOPARTICLES WITH ENHANCED EMISSION Sony Group Corporation (JP) 2022-05-12 US disclosed
US-11230663-B2 Polymeric organic nanoparticles with enhanced emission SONY CORPORATION (JP) 2022-01-25 US disclosed
US-20210005827-A1 N AND P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES SONY CORPORATION (JP) 2021-01-07 US disclosed
US-10790454-B2 N and P active materials for organic photoelectric conversion layers in organic photodiodes SONY CORPORATION (JP) 2020-09-29 US disclosed
US-20200166502-A1 SENSOR FOR THE DETECTION OF BIOMOLECULES SONY CORPORATION (JP) 2020-05-28 US disclosed
US-20190085237-A1 POLYMERIC ORGANIC NANOPARTICLES WITH ENHANCED EMISSION SONY CORPORATION (JP) 2019-03-21 US disclosed
US-20180123050-A1 N AND P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES SONY CORPORATION (JP) 2018-05-03 US 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-10790454-B2 N and P active materials for organic photoelectric conversion layers in organic photodiodes L1CAM, PNN, JUP CYP2A6 3844/4885CYP1A2 2312/4885TSHR 4848/4885
US-20180123050-A1 N AND P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES L1CAM, PNN, JUP CYP2A6 3844/4885CYP1A2 2312/4885TSHR 4848/4885
US-20210005827-A1 N AND P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES L1CAM, PNN, JUP CYP2A6 3844/4885CYP1A2 2312/4885TSHR 4848/4885
US-11384381-B2 Reaction accelerating agent MPO, AOX1, MAOA CYP2A6 148/4885CYP1A2 25/4885TSHR 3117/4885

“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.