SCHEMBL25844678

SCHEMBL25844678

CCC1(CC)c2ccccc2-c2c1c1c(c3cc(N4CCOCC4)ccc23)OC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.34
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
PRKDC P78527 1/20 0.32
TMEM97 Q5BJF2 3/20 0.32
SIGMAR1 Q99720 3/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KIF11 P52732 2/20 0.30
DRD4 P21917 1/20 0.30
HRH1 P35367 1/20 0.30
HTR2B P41595 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
SCHEMBL25606850 0.99 PDK2 (0.35) PDK2TDO2IDO2PRKDCTMEM97
SCHEMBL25600437 0.98 PDK2 (0.35) PDK2TDO2IDO2TMEM97SIGMAR1
SCHEMBL25600439 0.96 PDK2 (0.33) PDK2TDO2IDO2TMEM97SIGMAR1
SCHEMBL25606852 0.95 MAPT (0.34) PDK2PRKDCKDM4EALDH1A1MAPT
SCHEMBL25607268 0.94 PDK2 (0.35) PDK2TDO2IDO2KDM4EALDH1A1
SCHEMBL25600440 0.93 AKR1C3 (0.33) PDK2TDO2IDO2ALDH1A1MAPT
SCHEMBL25600438 0.93 RAB9A (0.35) PDK2PRKDCKDM4EALDH1A1MAPT
SCHEMBL25600434 0.93 RAB9A (0.35) PDK2PRKDCKDM4EALDH1A1MAPT
SCHEMBL26627991 0.92 PDK2 (0.33) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL25844688 0.92 PDK2 (0.30) PDK2

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-20230340318-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND EYEGLASSES HOYA LENS THAILAND LTD. (TH) 2023-10-26 US disclosed
US-20230340318-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND EYEGLASSES HOYA LENS THAILAND LTD. (TH) 2023-10-26 US disclosed
US-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 US disclosed
US-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 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-20230340318-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND EYEGLASSES NR2E3, CRY1, RPS10 PDK2 2722/4885TDO2 2605/4885IDO2 4034/4885

“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.