SCHEMBL18960517

SCHEMBL18960517

NN(c1cccc(-c2ccccc2)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ PTBP1 P26599 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GALK1 P51570 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMAD3 P84022 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL21787996 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10MEN1APAF1NPC1
SCHEMBL18960518 0.82 MAOA (0.50) MAOAALDH1A1HSD17B10PRSS1PRSS2
SCHEMBL15038388 0.81 MGLL (0.38) MAOAALDH1A1HSD17B10MEN1APAF1
SCHEMBL15038389 0.81 MGLL (0.38) MAOAALDH1A1HSD17B10MEN1APAF1
SCHEMBL25058949 0.81 MAOA (0.48) MAOAALDH1A1HSD17B10PRSS1PRSS2
SCHEMBL15866441 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10MEN1RAB9AKMT2A
SCHEMBL15038399 0.80 MGLL (0.37) MAOAALDH1A1HSD17B10MEN1APAF1
SCHEMBL15038391 0.80 NPC1 (0.39) MAOAALDH1A1HSD17B10MEN1APAF1
SCHEMBL15038524 0.80 NPC1 (0.39) MAOAALDH1A1HSD17B10MEN1APAF1
SCHEMBL15038390 0.80 NPC1 (0.39) MAOAALDH1A1HSD17B10MEN1APAF1

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
WO-2017099326-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY APPARATUS 삼성에스디아이 주식회사 2017-06-15 — — WO 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 172/4885ALDH1A1 2569/4885HSD17B10 4262/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 MAOA 45/4885ALDH1A1 1964/4885HSD17B10 3054/4885

“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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