SCHEMBL9901375

SCHEMBL9901375

Cc1cc(C)cc(N(N)c2cc(C)cc(C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
C1S P09871 1/20 0.36
PRSS3 P35030 1/20 0.36
ACHE P22303 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TPMT P51580 1/20 0.32
TSPO P30536 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SELL P14151 1/20 0.30
SELP P16109 1/20 0.30
SELE P16581 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL27335072 0.79 ALDH1A1 (0.45) ALDH1A1TSHRPRSS1PRSS2C1S
SCHEMBL13746874 0.77 ALDH1A1 (0.43) ALDH1A1TSHRPRSS1PRSS2C1S
SCHEMBL9482520 0.75 ALDH1A1 (0.61) ALDH1A1TSHRPRSS1PRSS2C1S
SCHEMBL7046205 0.73 ALDH1A1 (0.44) ALDH1A1TSHRPRSS1PRSS2C1S
SCHEMBL21787888 0.73 ACHE (0.52) ALDH1A1ACHESIGMAR1
Hydrazine SCHEMBL28654545 0.71 ALDH1A1 (0.69) ALDH1A1TSHRPRSS1PRSS2C1S
Methylamine SCHEMBL28203537 0.71 ALDH1A1 (0.69) ALDH1A1TSHRPRSS1PRSS2C1S
SCHEMBL8764966 0.71 ALDH1A1 (0.42) ALDH1A1TSHRPRSS1PRSS2C1S
SCHEMBL43548 0.71 ALDH1A1 (0.50) ALDH1A1TSHRACHETPMTTSPO
SCHEMBL13509012 0.71 TSHR (0.42) ALDH1A1TSHRPRSS1PRSS2C1S

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 5 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
EP-3650438-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-05-13 EP disclosed
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-03-05 US disclosed
EP-2649150-A2 BIS(SULFONYL)BIARYL DERIVATIVES AS ELECTRON TRANSPORTING AND/OR HOST MATERIALS Georgia Tech Research Corporation (US) 2013-10-16 EP disclosed
WO-2012078770-A2 BIS(SULFONYL)BIARYL DERIVATIVES AS ELECTRON TRANSPORTING AND/OR HOST MATERIALS GEORGIA TECH RESEARCH CORPORATION (US) 2012-06-14 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 ALDH1A1 2569/4885TSHR 1794/4885PRSS1 4317/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 ALDH1A1 1964/4885TSHR 4067/4885PRSS1 4157/4885

“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.