SCHEMBL16773540

SCHEMBL16773540

c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4ccc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR3 P46089 1/20 0.38
▸ CYP1B1 Q16678 3/20 0.36
▸ CYP1A1 P04798 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HPRT1 P00492 3/20 0.34
▸ F9 P00740 3/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ CYP2A6 P11509 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ABCB1 P08183 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
SCHEMBL26056679 0.99 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26056801 0.95 ALDH1A1 (0.38) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25731063 0.95 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25731245 0.95 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21124035 0.95 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25731028 0.93 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26057230 0.93 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26056696 0.93 HPRT1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25463903 0.93 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25730968 0.93 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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 ALDH1A1 1334/4885MAPT 1204/4885HPGD 309/4885
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR ALDH1A1 1334/4885MAPT 1204/4885HPGD 309/4885
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR ALDH1A1 1334/4885MAPT 1204/4885HPGD 309/4885

“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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