SCHEMBL3783779

SCHEMBL3783779

Ic1c(-c2ccc(-c3c(I)c4ccccc4c4ccc(-c5ccccc5)cc34)cc2)c2cc(-c3ccccc3)ccc2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.40
ESR2 Q92731 5/20 0.40
ALOX5 P09917 1/20 0.36
JAK2 O60674 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B1 P14061 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B2 P37059 1/20 0.36
DHFR P00374 1/20 0.35
MAP4K4 O95819 1/20 0.35
PLA2G2A P14555 1/20 0.35
PLA2G4A P47712 1/20 0.35
IMPDH2 P12268 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TNKS2 Q9H2K2 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL3786155 1.00 ESR1 (0.40) ESR1ESR2ALOX5JAK2CYP1A2
SCHEMBL13016390 0.93 ESR1 (0.36) ESR1ESR2ALOX5JAK2CYP1A2
SCHEMBL13017628 0.90 ESR1 (0.44) ESR1ESR2ALOX5CYP1A2CYP3A4
SCHEMBL13017622 0.86 CA12 (0.48) CYP1A2CYP2C9HSD17B1CYP2C19HSD17B2
SCHEMBL13017640 0.84 HSD17B1 (0.42) ESR1ESR2ALOX5CYP1A2CYP3A4
SCHEMBL13016362 0.84 ESR1 (0.43) ESR1ESR2ALOX5CYP1A2CYP3A4
SCHEMBL13016375 0.83 ESR1 (0.45) ESR1ESR2ALDH1A1KDM4ELMNA
SCHEMBL23639144 0.81 DPP4 (0.43) ESR1ESR2MAP4K4KDM4E
SCHEMBL19283276 0.81 ESR2 (0.46) ESR1ESR2ALOX5JAK2CYP1A2
SCHEMBL21435747 0.81 ESR2 (0.46) ESR1ESR2ALOX5JAK2CYP1A2

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-8568903-B2 Phenanthrene derivative, and material for organic EL element IDEMITSU KOSAN CO., LTD. (JP) 2013-10-29 US disclosed
US-8568903-B2 Phenanthrene derivative, and material for organic EL element IDEMITSU KOSAN CO., LTD. (JP) 2013-10-29 US disclosed
US-8568903-B2 Phenanthrene derivative, and material for organic EL element IDEMITSU KOSAN CO., LTD. (JP) 2013-10-29 US disclosed
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 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-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT NR2E1, AR, ELP1 ESR1 25/4885ESR2 6/4885ALOX5 2282/4885
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT LEF1, AR, NR0B1 ESR1 44/4885ESR2 25/4885ALOX5 1897/4885

“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.