SCHEMBL20542576

SCHEMBL20542576

CCC1(CC)c2cc(C#N)ccc2-c2ccc(C#N)cc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.45
▸ ELANE P08246 1/20 0.45
▸ PGR P06401 3/20 0.41
▸ CYP2A6 P11509 2/20 0.41
▸ KDM1A O60341 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ DRD2 P14416 4/20 0.35
▸ DRD3 P35462 4/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ PNMT P11086 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
SCHEMBL13935054 0.90 PDK2 (0.39) PDK2ELANEPGRCYP2A6KDM1A
SCHEMBL20542539 0.90 PDK2 (0.39) PDK2ELANEPGRCYP2A6TRPV4
SCHEMBL19186414 0.83 PDK2 (0.37) PDK2ELANEPGRALDH1A1CASP3
SCHEMBL15763512 0.81 PDK2 (0.39) PDK2PGRALDH1A1MEN1KMT2A
SCHEMBL3206468 0.80 TSHR (0.43) PDK2PGRCYP2A6ALDH1A1DRD2
SCHEMBL4502871 0.80 TSHR (0.43) PDK2PGRCYP2A6ALDH1A1DRD2
SCHEMBL15763502 0.80 PDK2 (0.40) PDK2PGRALDH1A1MEN1KMT2A
SCHEMBL20542545 0.79 PDK2 (0.37) PDK2ELANEPGRALDH1A1MEN1
SCHEMBL15763501 0.78 PGR (0.43) PDK2PGRMEN1KMT2A
SCHEMBL17511218 0.77 PGR (0.39) PDK2ELANEPGRCYP2A6KDM1A

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-10113065-B1 Two-photon absorbing compounds and methods of making same GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2018-10-30 — — 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-10113065-B1 Two-photon absorbing compounds and methods of making same TBXA2R, TBXAS1, TPD52L2 PDK2 1206/4885ELANE 497/4885PGR 2136/4885

“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.

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