SCHEMBL3028569

SCHEMBL3028569

CC(C)(C)c1ccccc1C1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.37
HTR2C P28335 4/20 0.35
HTR2B P41595 2/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
KIF11 P52732 1/20 0.32
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RBP4 P02753 1/20 0.30

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
SCHEMBL13651799 0.84 TSHR (0.38) TSHRALDH1A1TDP1CA2HTR2C
SCHEMBL1498947 0.79 HTR2C (0.50) TSHRTDP1HTR2CHTR2BRBP4
SCHEMBL5698914 0.79 HTR2C (0.50) TSHRTDP1HTR2CHTR2BRBP4
SCHEMBL11937218 0.78 ALDH1A1 (0.39) TSHRALDH1A1TDP1CA2HTR2C
SCHEMBL37732 0.77 TSHR (0.57) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL17865245 0.75 SMN1; SMN2 (0.36) TSHRALDH1A1CA2HTR2CHTR2B
SCHEMBL11937219 0.75 ALDH1A1 (0.36) TSHRALDH1A1TDP1CA2HTR2C
SCHEMBL8524358 0.71 TAAR1 (0.52) TSHRALDH1A1HTR2CHTR2BCHRM2
SCHEMBL8525267 0.71 TAAR1 (0.52) TSHRALDH1A1HTR2CHTR2BCHRM2
SCHEMBL168917 0.71 TAAR1 (0.52) TSHRALDH1A1HTR2CHTR2BCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
EP-1904451-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2008-04-02 EP disclosed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-1989006661-A1 MODIFIED ADVANCED EPOXY RESINS THE DOW CHEMICAL COMPANY (US) 1989-07-27 WO disclosed
WO-1989006662-A1 MODIFIED ADVANCED EPOXY RESINS THE DOW CHEMICAL COMPANY (US) 1989-07-27 WO disclosed
EP-0324389-A2 Modified advanced epoxy resins THE DOW CHEMICAL COMPANY (US) 1989-07-19 EP disclosed
EP-0324405-A2 Modified advanced epoxy resins THE DOW CHEMICAL COMPANY (US) 1989-07-19 EP disclosed
US-4835225-A Modified advanced epoxy resins THE DOW CHEMICAL COMPANY (US) 1989-05-30 US disclosed
US-4820784-A CURED HOMO- AND COPOLYMERS OF POLYEPOXIDES, EPOXY RESINS AND POLYETHERS MODIFIED BY PHOSPHORIC ACID; LOW VISCOSITY; FLEXIBLE CHEMICAL RESISTANCE COATINGS THE DOW CHEMICAL COMPANY (US) 1989-04-11 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-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ERBB2, ABL1, GRK2 TSHR 406/4885ALDH1A1 4220/4885TDP1 3440/4885

“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.