SCHEMBL8739936

SCHEMBL8739936

COc1cc(C(C)(C)C)cc(O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
HPGD P15428 4/20 0.48
ALOX15 P16050 4/20 0.48
LMNA P02545 4/20 0.48
CYP3A4 P08684 3/20 0.48
TP53 P04637 2/20 0.48
PTGS2 P35354 2/20 0.47
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
ALOX5 P09917 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
PKM P14618 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL10028316 0.91 LMNA (0.48) EGFRHPGDALOX15LMNACYP3A4
Methane SCHEMBL20485779 0.89 LMNA (0.47) EGFRHPGDALOX15LMNACYP3A4
SCHEMBL10015238 0.85 EGFR (0.45) EGFRHPGDALOX15LMNACYP3A4
SCHEMBL19351183 0.85 TNKS2 (0.46) EGFRHPGDALOX15LMNACYP3A4
SCHEMBL7843399 0.83 TPMT (0.50) HPGDALOX15LMNACYP3A4TP53
SCHEMBL1425172 0.83 HPGD (0.46) EGFRHPGDALOX15LMNACYP3A4
SCHEMBL30455185 0.83 HPGD (0.46) EGFRHPGDALOX15LMNACYP3A4
SCHEMBL852265 0.83 CA2 (0.53) EGFRHPGDALOX15LMNACYP3A4
SCHEMBL11790827 0.82 ALOX5 (0.60) EGFRHPGDALOX15LMNACYP3A4
SCHEMBL3872595 0.81 GABRA1 (0.57) EGFRHPGDALOX15LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040987-B2 Penam derivatives for treating bacterial infections TENNOR THERAPEUTICS LIMITED (CN) 2021-06-22 US disclosed
US-20200237708-A1 9,10-Alpha,Alpha-OH-Taxane Analogs and Methods for Production Thereof TAPESTRY PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-10238621-B2 9,10-α,α-OH-taxane analogs and methods for production thereof TAPESTRY PHARMACEUTICALS, INC. (US) 2019-03-26 US disclosed
US-9820962-B2 9, 10-α, α-oh-taxane analogs and methods for production thereof TAPESTRY PHARMACEUTICALS, INC. (US) 2017-11-21 US disclosed
US-20150073045-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CORNELL UNIVERSITY (US) 2015-03-12 US disclosed
US-8563603-B2 Polycyclic compounds and methods related thereto CORNELL UNIVERSITY (US) 2013-10-22 US disclosed
US-20120130147-A1 METHODS FOR THE TREATMENT OF TUMORS WITH INDANE COMPOUNDS FINSINGER DIRK (DE) 2012-05-24 US disclosed
US-20120077871-A1 9, 10-Alpha, Alpha-OH-Taxane Analogs and Methods for Production Thereof TAPESTRY PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CORNELL UNIVERSITY (US) 2011-11-10 US disclosed
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CORNELL UNIVERSITY (US) 2011-11-10 US disclosed
WO-2010048452-A2 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CHAVEZ KATHRYN JILL (US) 2010-04-29 WO disclosed
US-20090118267-A1 INDANES MERCK PATENT GMBH (DE) 2009-05-07 US disclosed
US-7455948-B2 Photosensitive resin composition TORAY INDUSTRIES, INC. (JP) 2008-11-25 US disclosed
US-20070219246-A1 Dihydrobenzothiophenes MERCK PATENT GMBH (DE) 2007-09-20 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 (9 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-20120130147-A1 METHODS FOR THE TREATMENT OF TUMORS WITH INDANE COMPOUNDS TP53, IDH3A, IDH2 EGFR 267/4885HPGD 727/4885ALOX15 2195/4885
US-20090118267-A1 INDANES IDH3A, CYP1A1, CCNT1 EGFR 1899/4885HPGD 735/4885ALOX15 1498/4885
US-20150073045-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO PKD1, THPO, CCNO EGFR 413/4885HPGD 374/4885ALOX15 24/4885
US-20120077871-A1 9, 10-Alpha, Alpha-OH-Taxane Analogs and Methods for Production Thereof TECR, ADCY9, AKR1C3 EGFR 1605/4885HPGD 1020/4885ALOX15 1393/4885
US-11040987-B2 Penam derivatives for treating bacterial infections BPGM, BLVRB, PREP EGFR 3267/4885HPGD 916/4885ALOX15 1635/4885
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO PKD1, THPO, CCNO EGFR 380/4885HPGD 338/4885ALOX15 23/4885
US-20200237708-A1 9,10-Alpha,Alpha-OH-Taxane Analogs and Methods for Production Thereof ADCY9, TECR, AKR1C3 EGFR 1545/4885HPGD 1222/4885ALOX15 902/4885
US-10238621-B2 9,10-α,α-OH-taxane analogs and methods for production thereof TECR, AKR1C3, ADCY9 EGFR 1217/4885HPGD 928/4885ALOX15 1350/4885
US-20070219246-A1 Dihydrobenzothiophenes CCNT1, CCNT2, TPT1 EGFR 1164/4885HPGD 1621/4885ALOX15 2852/4885

“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.