SCHEMBL19735229

SCHEMBL19735229

CN(C)Cc1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ HTR7 P34969 4/20 0.36
▸ POLB P06746 2/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33

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
SCHEMBL19735231 1.00 ALDH1A1 (0.46) ALDH1A1TSHRTAAR1KMT2AMEN1
SCHEMBL19735230 0.89 ALDH1A1 (0.43) ALDH1A1TSHRTAAR1KMT2AMEN1
SCHEMBL19735234 0.89 ALDH1A1 (0.43) ALDH1A1TSHRTAAR1KMT2AMEN1
SCHEMBL16995982 0.84 HTR7 (0.43) ALDH1A1TSHRTAAR1KMT2AMEN1
SCHEMBL19735233 0.82 LMNA (0.37) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL19735235 0.82 LMNA (0.37) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL29307756 0.81 KMT2A (0.45) ALDH1A1TSHRTAAR1KMT2AMEN1
SCHEMBL17903074 0.79 KMT2A (0.46) TSHRKMT2AMEN1KDM4ELMNA
SCHEMBL19735489 0.77 MEN1 (0.47) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL19735579 0.77 MEN1 (0.47) ALDH1A1KMT2AMEN1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 — — US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 — — US 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 (1 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-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 ALDH1A1 8/4885TSHR 3399/4885TAAR1 370/4885

“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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