SCHEMBL19218274

SCHEMBL19218274

CN(c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1)c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 2/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ PDE5A O76074 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ ITK Q08881 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL2742931 0.83 KDR (0.45) CHKAPDE5AKDRFGFR1ITK
SCHEMBL12153510 0.82 CYP1A2 (0.39) CYP1A2CYP1A1CYP1B1KDM4EALDH1A1
SCHEMBL13826088 0.81 CHKA (0.50) CHKAPDE5AKDRHSD17B1HSD17B2
SCHEMBL6724011 0.81 CHKA (0.50) CHKAPDE5AKDRHSD17B1HSD17B2
SCHEMBL6723434 0.81 CHKA (0.50) CHKAPDE5AKDRHSD17B1HSD17B2
SCHEMBL6723784 0.81 CHKA (0.50) CHKAPDE5AKDRHSD17B1HSD17B2
SCHEMBL12153489 0.81 ALDH1A1 (0.38) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL12153557 0.81 ALDH1A1 (0.38) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL12153558 0.81 ALDH1A1 (0.38) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL6724189 0.81 CHKA (0.49) CHKAABCG2PDE5AALDH1A1HSD17B1

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-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 — — 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-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE L1CAM, LEF1, PIEZO1 CHKA 4792/4885ABCG2 3644/4885PDE5A 4035/4885

“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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