SCHEMBL21583674

SCHEMBL21583674

CCN1CCCC1C1C(C)C1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HRH3 Q9Y5N1 3/20 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
SCHEMBL13751142 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AL3MBTL1
SCHEMBL13751280 0.79 ALDH1A1 (0.37) ALDH1A1KMT2AL3MBTL1
SCHEMBL13751271 0.76 ALDH1A1 (0.35) ALDH1A1KMT2AL3MBTL1
SCHEMBL19120709 0.76 DRD2 (0.36) ALDH1A1MEN1LMNACYP1A2ADRB2
SCHEMBL8442604 0.76 LMNA (0.36) MEN1LMNACYP1A2ADRB2THRB
SCHEMBL10942894 0.76 LMNA (0.36) MEN1LMNACYP1A2ADRB2THRB
SCHEMBL28494816 0.76 LMNA (0.36) MEN1LMNACYP1A2ADRB2THRB
SCHEMBL19276040 0.74 OPRM1 (0.37) MEN1LMNACYP1A2ADRB2THRB
SCHEMBL7897923 0.72 — —
SCHEMBL172898 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975058-B2 Imidazolyl kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-13 — — US disclosed
US-20190367487-A1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-12-05 — — 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-20190367487-A1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF PRKACB, PRKACG, PRKACA ALDH1A1 3176/4885MEN1 2299/4885LMNA 2180/4885
US-10975058-B2 Imidazolyl kinase inhibitors and uses thereof PRKACB, PRKACG, PRKACA ALDH1A1 3176/4885MEN1 2299/4885LMNA 2180/4885

“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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