SCHEMBL17616735

SCHEMBL17616735

CC(=O)C(CN1CCCC1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MITF O75030 4/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ RAB9A P51151 2/20 0.68
▸ HTT P42858 2/20 0.68
▸ GFER P55789 1/20 0.68
▸ PAX8 Q06710 1/20 0.68
▸ ATM Q13315 1/20 0.68
▸ LMNA P02545 3/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ NTSR1 P30989 1/20 0.58
▸ MAPT P10636 2/20 0.54
▸ NLRP1 Q9C000 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ OPRK1 P41145 5/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPC1 O15118 1/20 0.50

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
SCHEMBL11222652 0.98 MITF (0.66) MITFSMN1; SMN2ALDH1A1RAB9AHTT
SCHEMBL12282101 0.86 MITF (0.71) MITFSMN1; SMN2ALDH1A1RAB9AHTT
SCHEMBL7592795 0.86 MITF (0.71) MITFSMN1; SMN2ALDH1A1RAB9AHTT
SCHEMBL27772020 0.85 ALDH1A1 (0.69) MITFSMN1; SMN2ALDH1A1RAB9AHTT
SCHEMBL2596926 0.85 ALDH1A1 (0.69) MITFSMN1; SMN2ALDH1A1RAB9AHTT
SCHEMBL684723 0.84 NTSR1 (0.59) MITFSMN1; SMN2ALDH1A1RAB9AHTT
Hydrochloric Acid SCHEMBL2551763 0.83 ALDH1A1 (0.72) MITFSMN1; SMN2ALDH1A1RAB9AHTT
SCHEMBL25107503 0.83 MITF (0.67) MITFSMN1; SMN2ALDH1A1RAB9AHTT
SCHEMBL2552200 0.83 ALDH1A1 (0.62) MITFSMN1; SMN2ALDH1A1RAB9AHTT
SCHEMBL1683001 0.83 LMNA (0.64) MITFSMN1; SMN2ALDH1A1RAB9AHTT

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-9512147-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 — — US disclosed
US-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-24 — — 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-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 MITF 3166/4885SMN1; SMN2 1952/4885ALDH1A1 1921/4885

“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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