SCHEMBL19373834

SCHEMBL19373834

Cc1ccc2c3ccc(C(C)(C)C)cc3n(C(C)(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ CCR9 P51686 1/20 0.39
▸ KIF11 P52732 6/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ HTR1D P28221 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL19383347 0.91 KIF11 (0.40) TSHRKIF11ALDH1A1HPGDALOX15
SCHEMBL19373835 0.89 CYP1A2 (0.35) TSHRCCR9KIF11ALDH1A1HPGD
SCHEMBL20096916 0.84 KIF11 (0.49) TSHRCCR9KIF11ALDH1A1HPGD
SCHEMBL19373831 0.84 TSHR (0.45) TSHRCCR9KIF11ALDH1A1HPGD
SCHEMBL25058962 0.82 TSHR (0.43) TSHRCCR9KIF11ALDH1A1HPGD
SCHEMBL24617586 0.82 KIF11 (0.47) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL13132809 0.81 TSHR (0.42) TSHRCCR9KIF11ALDH1A1HPGD
SCHEMBL25648118 0.80 KIF11 (0.39) KIF11TDP1MAPTKMT2A
SCHEMBL19373829 0.79 NR1I2 (0.43) TSHRCCR9KIF11ALDH1A1HPGD
SCHEMBL25490702 0.77 KIF11 (0.46) TSHRCCR9KIF11ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267796-A1 FIVE-COORDINATE BIS-PHENYLPHENOXY CATALYSTS FOR THE PREPARATION OF ETHYLENE-BASED POLYMERS DOW GLOBAL TECHNOLOGIES LLC 2017-09-21 — — 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-20170267796-A1 FIVE-COORDINATE BIS-PHENYLPHENOXY CATALYSTS FOR THE PREPARATION OF ETHYLENE-BASED POLYMERS PARG, AP1M1, BZW1 TSHR 4307/4885CCR9 1503/4885KIF11 873/4885

“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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