SCHEMBL10065680

SCHEMBL10065680

Cc1ccc(-c2c[nH]c(-c3ccc(C(C)(C)C)cc3)c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTAFR P25105 1/20 0.33
GCGR P47871 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
NR2F2 P24468 1/20 0.32
KIF11 P52732 2/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TNKS O95271 1/20 0.31

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
SCHEMBL186163 0.88 TSHR (0.40) TSHRALDH1A1KMT2AMITFTP53
SCHEMBL6153977 0.83 MAPT (0.41) ALDH1A1KMT2AMAPTGAAKDM4E
SCHEMBL186476 0.83 TSHR (0.52) TSHRALDH1A1KMT2AMITFTP53
SCHEMBL186791 0.79 RAB9A (0.44) ALDH1A1KMT2AMAPTKDM4ELMNA
SCHEMBL186943 0.79 ALDH1A1 (0.47) TSHRALDH1A1KMT2AMITFTP53
SCHEMBL186498 0.74 SMN1; SMN2 (0.36) ALDH1A1KMT2AMAPTGAAKDM4E
SCHEMBL186620 0.74 MAPT (0.44) ALDH1A1KMT2ATP53MAPTGAA
SCHEMBL15032957 0.74 TSHR (0.46) TSHRALDH1A1KMT2AMITFTP53
SCHEMBL15032893 0.73 ALDH1A1 (0.49) TSHRALDH1A1KMT2AMITFTP53
SCHEMBL19664333 0.73 KMT2A (0.42) ALDH1A1KMT2AMITFTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778510-B2 Pyrromethene-boron complex compounds and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-15 US disclosed
US-8778510-B2 Pyrromethene-boron complex compounds and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-15 US disclosed
US-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME MITSUI CHEMICALS, INC. 2012-02-16 US disclosed
US-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME MITSUI CHEMICALS, INC. 2012-02-16 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-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME LEF1, ZRANB2, AFF1 TSHR 1693/4885ALDH1A1 1476/4885KMT2A 1733/4885

“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.