SCHEMBL19971950

SCHEMBL19971950

C(=Cc1ccccc1)C1=CCC(c2cc3ccccc3c3ccccc23)(c2cc3ccccc3c3ccccc23)C=C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5189265 0.76 CHAT (0.34) RELAMAPTRAB9A
SCHEMBL4413863 0.71 PDGFRB (0.33) RELAPDGFRBPDGFRAKDM4ERAB9A
SCHEMBL17599277 0.71 CA1 (0.38) MAPTALDH1A1SMN1; SMN2
SCHEMBL4438933 0.70 MAOB (0.39) RELA
SCHEMBL6837817 0.68 CHAT (0.35) RELAMAPT
Hydrochloric Acid SCHEMBL12003783 0.68 MAOB (0.38) RELA
SCHEMBL28697334 0.68 CHAT (0.35) RELA
SCHEMBL31506486 0.68 CHAT (0.35) RELAMAPT
SCHEMBL4595773 0.68 CHAT (0.39) RELAKDM4EMAPTRAB9AALDH1A1
SCHEMBL28484538 0.68 CHAT (0.39) RELA

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
US-11171292-B2 Organic compound, anthracene derivative, and light-emitting element, light-emitting device, and electronic device in which the anthracene derivative is used SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-11-09 US disclosed
US-20190221747-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2019-07-18 US disclosed
US-20180083191-A1 ORGANIC COMPOUND, ANTHRACENE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE IN WHICH THE ANTHRACENE DERIVATIVE IS USED SEMICONDUCTOR ENERGY LAB (JP) 2018-03-22 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 (2 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-11171292-B2 Organic compound, anthracene derivative, and light-emitting element, light-emitting device, and electronic device in which the anthracene derivative is used CYP1A1, CYP1A2, XPOT RELA 690/4885PDGFRB 4654/4885PDGFRA 4368/4885
US-20190221747-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND KCNN4, OR10J3, KCNN2 RELA 3093/4885PDGFRB 3832/4885PDGFRA 3194/4885

“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.