SCHEMBL14910050

SCHEMBL14910050

C[C](C)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 6/20 0.50
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HIF1A Q16665 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL3523419 0.78 KCNN4 (0.58) KCNN4ALDH1A1ALOX15ESR1ESR2
SCHEMBL19749311 0.78 KCNN4 (0.46) KCNN4ALDH1A1ALOX15ESR1ESR2
SCHEMBL27923178 0.78 KCNN4 (0.38) KCNN4ALDH1A1ALOX15ESR1ESR2
Acetic Acid SCHEMBL28104273 0.76 KCNN4 (0.56) KCNN4ALDH1A1CYP2C19CYP1A2CYP2C9
SCHEMBL11505025 0.74 MAPT (0.56) KCNN4ALDH1A1ALOX15ESR1ESR2
SCHEMBL3523097 0.74 KCNN4 (0.43) KCNN4ALDH1A1ALOX15ESR1ESR2
SCHEMBL3523100 0.74 KCNN4 (0.43) KCNN4ALDH1A1ALOX15ESR1ESR2
SCHEMBL3520337 0.72 KCNN4 (0.42) KCNN4ALDH1A1ALOX15CYP2C19CYP1A2
SCHEMBL3520335 0.72 KCNN4 (0.42) KCNN4ALDH1A1ALOX15CYP2C19CYP1A2
SCHEMBL13735513 0.72 TSHR (0.50) KCNN4ALDH1A1ALOX15ESR1ESR2

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
EP-2589643-B1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME SK CHEMICALS CO LTD (KR) 2017-09-20 EP disclosed
US-9142784-B2 Highly efficient carbazole-based compound, and organic electroluminescence device comprising same SK CHEMICALS CO., LTD. (KR) 2015-09-22 US disclosed
US-20130119367-A1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME INDUSTRY ACADEMIC COOPERATION FOUNDATION, DANKOOK UNIVERSITY (KR) 2013-05-16 US disclosed
EP-2589643-A2 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME Industry-Academic Cooperation Foundation, Dankook University (KR) 2013-05-08 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 (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-20130119367-A1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME PPIP5K2, INPP5B, EZH2 KCNN4 351/4885ALDH1A1 1956/4885ALOX15 867/4885

“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.