SCHEMBL24854100

SCHEMBL24854100

C/C=C(\C)c1nc2ccccc2c2ccoc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ELANE P08246 2/20 0.32
▸ TP53 P04637 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ POLB P06746 3/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ESR1 P03372 1/20 0.31

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
SCHEMBL24853587 0.88 ALDH1A1 (0.36) GPR3ALDH1A1MAPTSMN1; SMN2KCNA3
SCHEMBL24853596 0.75 ALDH1A1 (0.36) GPR3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL16836336 0.70 TLR8 (0.46) GPR3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL24853790 0.70 GPR3 (0.36) GPR3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL24853807 0.70 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2KDM4EELANE
SCHEMBL22431673 0.67 CSNK2A1 (0.38) GPR3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL24853579 0.66 TP53 (0.34) MAPTSMN1; SMN2ELANETP53HPGD
SCHEMBL19683509 0.65 MAOA (0.42) ALDH1A1MAPTKDM4EHSD17B10POLB
SCHEMBL29634253 0.65 KMT2A (0.47) ALDH1A1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL18576588 0.65 CYP2A6 (0.52) ALDH1A1MAPTSMN1; SMN2TP53CYP2A6

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-20230002427-A1 ORGANOMETALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-01-05 — — 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-20230002427-A1 ORGANOMETALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME NONO, BMI1, LIG1 GPR3 4622/4885ALDH1A1 745/4885MAPT 1638/4885

“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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