SCHEMBL20623920

SCHEMBL20623920

c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 3/20 0.38
▸ CYP1B1 Q16678 3/20 0.35
▸ CYP1A1 P04798 2/20 0.35
▸ PIM3 Q86V86 2/20 0.34
▸ HSD17B1 P14061 3/20 0.33
▸ HSD17B2 P37059 3/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL20623915 1.00 F9 (0.38) F9CYP1B1CYP1A1PIM3HSD17B1
SCHEMBL20623921 1.00 F9 (0.38) F9CYP1B1CYP1A1PIM3HSD17B1
SCHEMBL20623583 1.00 F9 (0.38) F9CYP1B1CYP1A1PIM3HSD17B1
SCHEMBL20623400 0.99 F9 (0.37) F9CYP1B1CYP1A1PIM3HSD17B1
SCHEMBL20623379 0.98 F9 (0.35) F9CYP1B1CYP1A1PIM3HSD17B1
SCHEMBL23225240 0.96 HSD17B1 (0.35) F9CYP1B1CYP1A1PIM3HSD17B1
SCHEMBL24919294 0.95 HSD17B1 (0.34) F9CYP1B1CYP1A1PIM3HSD17B1
SCHEMBL20623397 0.95 F9 (0.39) F9CYP1B1CYP1A1PIM3HSD17B1
SCHEMBL20623840 0.95 F9 (0.41) F9CYP1B1CYP1A1PIM3HSD17B1
SCHEMBL20623584 0.95 F9 (0.41) F9CYP1B1CYP1A1PIM3HSD17B1

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 609/4885CYP1B1 1933/4885CYP1A1 882/4885

“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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