SCHEMBL21058249

SCHEMBL21058249

CCC1(N)CCC(C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 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
SCHEMBL2656497 0.77 ALDH1A1 (0.36) ALDH1A1TDP1MAPTCYP1A2CYP2D6
SCHEMBL2656499 0.77 ALDH1A1 (0.36) ALDH1A1TDP1MAPTCYP1A2CYP2D6
SCHEMBL2656500 0.77 ALDH1A1 (0.36) ALDH1A1TDP1MAPTCYP1A2CYP2D6
SCHEMBL25917853 0.76 GRIN2D (0.31)
SCHEMBL29334330 0.76 ALDH1A1 (0.37) ALDH1A1TDP1GAAUSP2MAPT
SCHEMBL830999 0.75 ALDH1A1 (0.35) ALDH1A1TDP1GAACYP1A2CYP2D6
SCHEMBL13593722 0.74 ALDH1A1 (0.33) ALDH1A1TDP1GAAUSP2MAPT
SCHEMBL9375095 0.73 KDM4E (0.31) KDM4E
SCHEMBL635169 0.73 OPRL1 (0.32)
SCHEMBL19090010 0.73 ALDH1A1 (0.70) ALDH1A1TDP1GAAUSP2MAPT

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-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US claimed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US claimed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 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 (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-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds CHKB, HRH3, PNMT ALDH1A1 1501/4885TDP1 4458/4885GAA 4224/4885
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds CHKB, HRH3, PNMT ALDH1A1 1388/4885TDP1 4491/4885GAA 4304/4885

“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.