SCHEMBL9960735

SCHEMBL9960735

Cc1ccccc1-c1ccc(C(C)(C)C)c(C(C)(C)C)c1P

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BRD4 O60885 1/20 0.30
ACHE P22303 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 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
SCHEMBL646869 0.83 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL348409 0.79 ALDH1A1 (0.32) TSHRALDH1A1TDP1
SCHEMBL30135690 0.79 ALDH1A1 (0.32) TSHRALDH1A1TDP1
SCHEMBL4748717 0.77 GABRA1 (0.42) GABRA1GABRB2HPGDNPC1CASP3
SCHEMBL20034068 0.73 GABRA1 (0.50) GABRA1GABRB2HPGDNPC1CASP3
SCHEMBL30317398 0.72 TSHR (0.45) HPGDNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL4748714 0.69 GABRA1 (0.40) GABRA1GABRB2TSHRALDH1A1TDP1
SCHEMBL10177352 0.68 TSHR (0.45) HPGDNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL2548208 0.68 ALDH1A1 (0.32) TSHRALDH1A1TDP1
SCHEMBL20780625 0.67 GABRA1 (0.34) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352376-B2 Catalysts BOREALIS AG (AT) 2022-06-07 US disclosed
EP-3541823-B1 CATALYSTS BOREALIS AG (AT) 2020-12-30 EP disclosed
US-20190308995-A1 CATALYSTS BOREALIS AG (AT) 2019-10-10 US disclosed
EP-3541823-A1 CATALYSTS Borealis AG (AT) 2019-09-25 EP disclosed
WO-2018091684-A1 CATALYSTS BOREALIS AG (AT) 2018-05-24 WO disclosed
CN-105992787-A Organic semiconductor material 东洋纺株式会社 2016-10-05 CN disclosed
EP-2657285-B1 moulded polypropylene with high content of beta form BOREALIS AG (AT) 2015-07-22 EP disclosed
US-9079985-B2 Bridged metallocene catalysts BOREALIS AG (AT) 2015-07-14 US disclosed
US-20140018506-A1 BRIDGED METALLOCENE CATALYSTS BOREALIS AG (AT) 2014-01-16 US disclosed
EP-2655431-A1 BRIDGED METALLOCENE CATALYSTS Borealis AG (AT) 2013-10-30 EP disclosed
EP-2657285-A1 Moulded polypropylene with high content of beta form Borealis AG (AT) 2013-10-30 EP disclosed
WO-2012084961-A1 BRIDGED METALLOCENE CATALYSTS BOREALIS AG (AT) 2012-06-28 WO 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-11352376-B2 Catalysts SIGMAR1, H1-2, SFN GABRA1 3084/4885GABRB2 3318/4885HPGD 2849/4885
US-20190308995-A1 CATALYSTS SIGMAR1, H1-2, CBR1 GABRA1 2980/4885GABRB2 3272/4885HPGD 2659/4885

“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.