SCHEMBL20623840

SCHEMBL20623840

c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 2/20 0.41
▸ PIM3 Q86V86 2/20 0.37
▸ GPR3 P46089 1/20 0.37
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1B1 Q16678 2/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ HSD17B1 P14061 2/20 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
SCHEMBL20623339 1.00 F9 (0.41) F9PIM3GPR3ESR1ESR2
SCHEMBL20623584 1.00 F9 (0.41) F9PIM3GPR3ESR1ESR2
SCHEMBL20623264 0.97 F9 (0.39) F9PIM3GPR3ESR1ESR2
SCHEMBL20623397 0.97 F9 (0.39) F9PIM3GPR3ESR1ESR2
SCHEMBL20623271 0.97 GPR3 (0.39) F9PIM3GPR3ESR1ESR2
SCHEMBL20623399 0.96 F9 (0.39) F9PIM3GPR3ESR1ESR2
SCHEMBL20623815 0.96 F9 (0.37) F9PIM3GPR3ESR1ESR2
SCHEMBL19598828 0.96 F9 (0.37) F9PIM3GPR3ESR1ESR2
SCHEMBL20623921 0.95 F9 (0.38) F9PIM3GPR3ESR1ESR2
SCHEMBL20623920 0.95 F9 (0.38) F9PIM3GPR3ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190006591-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENTS, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-01-03 — — 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 (1 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-20190006591-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENTS, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE L1CAM, PIEZO1, ESR1 F9 609/4885PIM3 3254/4885GPR3 2777/4885

“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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