SCHEMBL15280722

SCHEMBL15280722

Cc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OS(=O)(=O)C(F)(F)F)cc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.36
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
HSD11B1 P28845 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CHRM1 P11229 4/20 0.33
HTR1A P08908 3/20 0.33
HTR1B P28222 3/20 0.33
DRD4 P21917 3/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CXCR2 P25025 1/20 0.32

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
SCHEMBL2455365 0.93 HTR1D (0.39) HTR1DDRD2DRD3HTR2CHTR7
Trifluoromethanesulfonic Acid SCHEMBL28049038 0.84 DRD2 (0.35) HTR1DDRD2DRD3RXRARXRB
SCHEMBL24862607 0.77 CYP3A4 (0.34) RXRATP53MAPT
SCHEMBL17016644 0.76 KDM4E (0.36) HTR1DDRD2DRD3HTR2CHTR7
SCHEMBL12578478 0.73 TP53 (0.39) RXRARXRBRXRGTP53MAPT
SCHEMBL17016648 0.73 NPSR1 (0.37) HTR1DDRD2DRD3HTR2CHTR7
SCHEMBL16811754 0.73 HSD11B1 (0.48) HTR1DDRD2DRD3HTR2CHTR7
SCHEMBL31243801 0.73 HSD11B1 (0.48) HTR1DDRD2DRD3HTR2CHTR7
SCHEMBL17016647 0.71 HSD11B1 (0.36) HTR1DDRD2DRD3HTR2CHTR7
SCHEMBL24862270 0.71 PDK2 (0.37) TP53MAPT

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-9947872-B2 Hole transport materials E I DU PONT DE NEMOURS AND COMPANY (US) 2018-04-17 US disclosed
US-20170200893-A1 HOLE TRANSPORT MATERIALS LG CHEM, LTD. (KR) 2017-07-13 US disclosed
US-9685613-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2017-06-20 US disclosed
US-20130248848-A1 PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME E.I. DU PONT NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-20130248847-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 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-20170200893-A1 HOLE TRANSPORT MATERIALS DRD4, AHR, AR HTR1D 79/4885DRD2 10/4885DRD3 6/4885

“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.