SCHEMBL17804606

SCHEMBL17804606

Cc1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
OPRK1 P41145 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDK2 Q15119 6/20 0.37
KIF11 P52732 1/20 0.37
POLB P06746 1/20 0.35
OPRM1 P35372 2/20 0.33
PTPRC P08575 1/20 0.33
OPRL1 P41146 1/20 0.33
NPSR1 Q6W5P4 4/20 0.32
CYP2C19 P33261 1/20 0.32
HKDC1 Q2TB90 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16996126 0.99 ESR1 (0.41) ESR1ESR2MEN1KMT2AOPRK1
SCHEMBL18052476 0.99 ESR1 (0.41) ESR1ESR2MEN1KMT2AOPRK1
SCHEMBL16996422 0.97 ESR1 (0.40) ESR1ESR2MEN1KMT2AOPRK1
SCHEMBL17805085 0.96 PDK2 (0.42) ESR1ESR2MEN1KMT2AOPRK1
SCHEMBL21559140 0.96 ESR1 (0.39) ESR1ESR2MEN1KMT2AOPRK1
SCHEMBL16852527 0.95 PDK2 (0.41) ESR1ESR2MEN1KMT2AOPRK1
SCHEMBL25815148 0.95 PDK2 (0.41) ESR1ESR2MEN1KMT2AOPRK1
SCHEMBL16996139 0.94 PDK2 (0.43) ESR1ESR2MEN1KMT2AOPRK1
SCHEMBL13137297 0.94 CYP2C19 (0.35) ESR1ESR2MEN1KMT2AOPRK1
SCHEMBL16852534 0.94 PDK2 (0.40) ESR1ESR2MEN1KMT2AOPRK1

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-10756275-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2020-08-25 US disclosed
US-20160197277-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197277-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
EP-3029023-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2016-06-08 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 (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-10756275-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment CHRM1, L1CAM, ESR1 ESR1 3/4885ESR2 20/4885MEN1 367/4885
US-20160197277-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT CHRM1, L1CAM, ESR1 ESR1 3/4885ESR2 20/4885MEN1 367/4885

“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.