SCHEMBL25824699

SCHEMBL25824699

Cc1ccc2cc(C(C)(C)C)cc(C3CCCC3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.36
RAB9A P51151 1/20 0.36
CCR5 P51681 1/20 0.36
CAMKK2 Q96RR4 1/20 0.35
PSMB5 P28074 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
PDE2A O00408 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL25824754 0.86 CCR1 (0.33) CCR1RAB9ACCR5
SCHEMBL26008003 0.77 PDE10A (0.34) PSMB5PDK2CYP1A2CYP2D6CYP2C9
SCHEMBL29324261 0.76 CCR1 (0.48) CCR1RAB9ACCR5MEN1KMT2A
SCHEMBL22925185 0.74 CAMKK2 (0.36) CCR1RAB9ACCR5CAMKK2PSMB5
SCHEMBL22925158 0.73 CAMKK2 (0.35) CCR1RAB9ACCR5CAMKK2PSMB5
SCHEMBL24335376 0.73 CCR1 (0.45) CCR1RAB9ACCR5MEN1KMT2A
SCHEMBL25312907 0.72 METAP2 (0.47) CCR1RAB9ACCR5MEN1KMT2A
SCHEMBL28478012 0.71 CYP2D6 (0.42) PSMB5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL26007879 0.70 PSMB5 (0.33) PSMB5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL26566969 0.70 ALDH1A1 (0.41) PSMB5CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685754-B2 Heteroleptic organic electroluminescent materials UNIVERSAL DISPLAY CORPORATION (US) 2023-06-27 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-11685754-B2 Heteroleptic organic electroluminescent materials IK, ORC3, CACNA2D2 CCR1 2845/4885RAB9A 580/4885CCR5 1794/4885

“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.