SCHEMBL19968002

SCHEMBL19968002

CC1(C)c2ccccc2C(C)(I)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.40
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
DRD1 P21728 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 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
SCHEMBL1627657 0.85 HTR2A (0.48) HTR2APDK2PDK4DRD1CYP1A2
SCHEMBL29392540 0.85 HTR2A (0.48) HTR2APDK2PDK4DRD1CYP1A2
SCHEMBL24730180 0.83 PDK2 (0.43) HTR2APDK2PDK4DRD1CYP1A2
Ammonia Solution, Strong SCHEMBL11465690 0.82 HTR2A (0.46) HTR2APDK2PDK4DRD1CYP1A2
SCHEMBL18415206 0.78 PDK2 (0.41) HTR2APDK2PDK4DRD1KMT2A
SCHEMBL29085489 0.77 HTR2A (0.43) HTR2APDK2PDK4DRD1CYP1A2
SCHEMBL21891114 0.74 PDK2 (0.50) PDK2PDK4CYP1A2KMT2ASLC6A2
SCHEMBL10306780 0.72 HTR2A (0.40) HTR2APDK2PDK4DRD1CYP1A2
SCHEMBL18415205 0.72 ALOX5 (0.41) DRD1CHRM3MAOAMAOB
SCHEMBL23839030 0.72 NOX1 (0.41) PDK2PDK4CYP1A2KMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230389407-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-30 US disclosed
WO-2022213794-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT COMPRISING SAME, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2022-10-13 WO disclosed
US-20180074402-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, AND POLYPHENOL COMPOUND USED THEREIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-03-15 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 (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-20180074402-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, AND POLYPHENOL COMPOUND USED THEREIN SLC11A2, ABCC1, FBL HTR2A 3502/4885PDK2 1937/4885PDK4 1436/4885
US-20230389407-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SNRPD2, HNRNPDL, SNRPA HTR2A 2155/4885PDK2 1961/4885PDK4 2423/4885

“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.