SCHEMBL21763102

SCHEMBL21763102

NN(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ PDK2 Q15119 14/20 0.38
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ POLB P06746 1/20 0.32
▸ THRB P10828 2/20 0.32
▸ APAF1 O14727 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ PTBP1 P26599 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GALK1 P51570 1/20 0.32
▸ BLM P54132 1/20 0.32

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
SCHEMBL21763101 0.93 MEN1 (0.46) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL21763099 0.93 PDK2 (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL21787836 0.93 MEN1 (0.49) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL21787756 0.91 MEN1 (0.47) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL16996108 0.85 MEN1 (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL16158332 0.85 MEN1 (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL16158348 0.85 MEN1 (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL16996111 0.85 MEN1 (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL16922910 0.85 MEN1 (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL16922933 0.85 MEN1 (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2

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 MEN1 2154/4885KMT2A 1970/4885LMNA 2105/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 MEN1 2274/4885KMT2A 1499/4885LMNA 1182/4885

“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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