SCHEMBL16405458

SCHEMBL16405458

CC(C)(C)Cc1ccc(C(C)(C)C)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP2D6 P10635 3/20 0.49
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL16405459 0.84 CYP2D6 (0.62) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL51349 0.83 ALDH1A1 (0.61) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL5167762 0.82 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4508763 0.82 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL11344556 0.80 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18701033 0.80 CYP1A2 (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10233336 0.80 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10026839 0.79 TYR (0.58) ALDH1A1ALOX15HSD17B10TDP1MAPT
SCHEMBL5166273 0.78 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1
Hydrochloric Acid SCHEMBL250215 0.78 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209441-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF UNIVERSITY OF DELHI (IN) 2017-07-27 US disclosed
US-9567316-B2 Aminoquinoline derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2017-02-14 US disclosed
US-20150023930-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2015-01-22 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-20150023930-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF LRRK2, NLN, AADAT ALDH1A1 2094/4885HPGD 879/4885ALOX15 2074/4885
US-20170209441-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF LRRK2, NLRP3, AADAT ALDH1A1 1990/4885HPGD 1667/4885ALOX15 2056/4885

“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.