SCHEMBL16773275

SCHEMBL16773275

c1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccc4sc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP1B1 Q16678 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ F9 P00740 2/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PTPN12 Q05209 1/20 0.34
▸ PTPN22 Q9Y2R2 1/20 0.34
▸ CYP2A6 P11509 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TNKS O95271 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
SCHEMBL26056696 0.97 HPRT1 (0.37) GPR3ALDH1A1CYP1B1HSD17B10HIF1A
SCHEMBL26056802 0.95 F9 (0.36) GPR3ALDH1A1CYP1B1HSD17B10HIF1A
SCHEMBL16773306 0.94 CYP1B1 (0.37) GPR3ALDH1A1CYP1B1HSD17B10HIF1A
SCHEMBL25731306 0.94 GPR3 (0.39) GPR3ALDH1A1CYP1B1HSD17B10HIF1A
SCHEMBL25731064 0.94 GPR3 (0.39) GPR3ALDH1A1CYP1B1HSD17B10HIF1A
SCHEMBL25730970 0.94 GPR3 (0.39) GPR3ALDH1A1CYP1B1HSD17B10HIF1A
SCHEMBL25731091 0.94 GPR3 (0.39) GPR3ALDH1A1CYP1B1HSD17B10HIF1A
SCHEMBL26057258 0.93 HPRT1 (0.36) GPR3ALDH1A1CYP1B1HSD17B10HIF1A
SCHEMBL16773540 0.93 ALDH1A1 (0.40) GPR3ALDH1A1CYP1B1HSD17B10HIF1A
SCHEMBL26056942 0.92 HPRT1 (0.35) GPR3ALDH1A1CYP1B1HSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10446759-B2 Phenanthrene compounds for organic electronic devices MERCK PATENT GMBH (DE) 2019-10-15 — — US disclosed
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-12 — — US disclosed
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-12 — — US disclosed
US-9799833-B2 Phenanthrene compounds for organic electronic devices MERCK PATENT GMBH (DE) 2017-10-24 — — US disclosed
US-9799833-B2 Phenanthrene compounds for organic electronic devices MERCK PATENT GMBH (DE) 2017-10-24 — — US disclosed
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-04 — — US disclosed
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-04 — — 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 (3 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-10446759-B2 Phenanthrene compounds for organic electronic devices PAH, CYP1A1, AHR GPR3 2931/4885ALDH1A1 1334/4885CYP1B1 11/4885
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR GPR3 2931/4885ALDH1A1 1334/4885CYP1B1 11/4885
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR GPR3 2931/4885ALDH1A1 1334/4885CYP1B1 11/4885

“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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