SCHEMBL16241997

SCHEMBL16241997

CC(C)(C)c1ccc(C([O])(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 5/20 0.54
LMNA P02545 1/20 0.52
TYR P14679 1/20 0.52
HDAC1 Q13547 1/20 0.46
SRD5A2 P31213 1/20 0.44
KIF11 P52732 2/20 0.44
CYP1A2 P05177 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL424728 0.83 TSHR (0.73) TSHRALDH1A1LMNATYRHDAC1
SCHEMBL11209930 0.75 TSHR (0.55) TSHRALDH1A1LMNAHDAC1CA1
SCHEMBL55222 0.75 TSHR (0.55) TSHRALDH1A1LMNATYRHDAC1
SCHEMBL3665211 0.75 TSHR (0.55) TSHRALDH1A1LMNATYRHDAC1
SCHEMBL1022795 0.75 TSHR (0.55) TSHRALDH1A1LMNATYRHDAC1
SCHEMBL1305142 0.75 TSHR (0.48) TSHRALDH1A1LMNATYRHDAC1
SCHEMBL1538330 0.73 TSHR (0.61) TSHRALDH1A1LMNATYRHDAC1
SCHEMBL3423876 0.73 KIF11 (0.70) TSHRALDH1A1LMNATYRHDAC1
SCHEMBL26915 0.73 KIF11 (0.70) TSHRALDH1A1LMNATYRHDAC1
SCHEMBL17923896 0.73 TSHR (0.61) TSHRALDH1A1LMNATYRHDAC1

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-20140371459-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-12-18 US disclosed
EP-2805948-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF Santen Pharmaceutical Co., Ltd (JP) 2014-11-26 EP 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-20140371459-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF NR3C2, NR5A1, NR3C1 TSHR 555/4885ALDH1A1 1415/4885LMNA 3945/4885

“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.