SCHEMBL21763283

SCHEMBL21763283

NN(c1ccccc1)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
MMP3 P08254 1/20 0.42
BCL2L1 Q07817 1/20 0.42
PKM P14618 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 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
SCHEMBL18960516 1.00 TAAR1 (0.48) TAAR1CYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL21763039 1.00 TAAR1 (0.48) TAAR1CYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL15372074 0.97 ALDH1A1 (0.50) TAAR1CYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL21787892 0.93 ALDH1A1 (0.54) TAAR1CYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL21763036 0.89 MAOA (0.45) TAAR1CYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL21763380 0.86 TAAR1 (0.41) TAAR1CYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL21763095 0.86 MEN1 (0.44) TAAR1CYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL7637954 0.86 TAAR1 (0.41) TAAR1CYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL1792016 0.86 ALDH1A1 (0.46) CYP3A4TDP1HSD17B10ALDH1A1CYP1A2
SCHEMBL193916 0.86 ALDH1A1 (0.46) CYP3A4TDP1HSD17B10ALDH1A1CYP1A2

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 TAAR1 111/4885CYP3A4 1850/4885TDP1 2481/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 TAAR1 521/4885CYP3A4 657/4885TDP1 3909/4885

“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.