SCHEMBL21763036

SCHEMBL21763036

NN(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
TAAR1 Q96RJ0 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
BACE1 P56817 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL25058949 0.96 MAOA (0.48) MAOATAAR1ALDH1A1HSD17B10MEN1
SCHEMBL18960518 0.94 MAOA (0.50) MAOATAAR1ALDH1A1HSD17B10MEN1
SCHEMBL21763283 0.89 TAAR1 (0.48) MAOATAAR1ALDH1A1HSD17B10KDM4E
SCHEMBL21763039 0.89 TAAR1 (0.48) MAOATAAR1ALDH1A1HSD17B10KDM4E
SCHEMBL18960516 0.89 TAAR1 (0.48) MAOATAAR1ALDH1A1HSD17B10KDM4E
SCHEMBL15372074 0.87 ALDH1A1 (0.50) MAOATAAR1ALDH1A1HSD17B10MEN1
SCHEMBL21763380 0.85 TAAR1 (0.41) MAOATAAR1ALDH1A1HSD17B10MEN1
SCHEMBL21787829 0.84 ABL1 (0.49) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL21787892 0.83 ALDH1A1 (0.54) TAAR1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL20684676 0.80 MAOA (0.50) MAOATAAR1ALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2022-01-06 US disclosed
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-03-05 US disclosed
EP-3369719-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-26 EP 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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS NR0B2, KCNJ2, TRRAP MAOA 172/4885TAAR1 111/4885ALDH1A1 2569/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 MAOA 45/4885TAAR1 521/4885ALDH1A1 1964/4885

“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.