SCHEMBL1049025

SCHEMBL1049025

Cc1c(C(C)(C)C)ccc(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
ALOX15 P16050 5/20 0.46
CYP2C9 P11712 3/20 0.46
TYR P14679 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
MIF P14174 1/20 0.46
HTT P42858 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CA2 P00918 4/20 0.46
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL23387425 0.85 CA2 (0.56) ALDH1A1ALOX15CYP2C9TYRHSD17B10
SCHEMBL30799247 0.85 CA2 (0.56) ALDH1A1ALOX15CYP2C9TYRHSD17B10
SCHEMBL1080898 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15CYP2C9TYRHSD17B10
SCHEMBL29808702 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15CYP2C9TYRHSD17B10
SCHEMBL27825271 0.81 CA2 (0.52) ALDH1A1ALOX15CYP2C9TYRHSD17B10
SCHEMBL29644929 0.81 GABRA1 (0.56) ALDH1A1ALOX15CYP2C9TYRHSD17B10
SCHEMBL580699 0.81 GABRA1 (0.56) ALDH1A1ALOX15CYP2C9TYRHSD17B10
SCHEMBL29488108 0.80 CA2 (0.56) ALDH1A1ALOX15CYP2C9TYRHSD17B10
SCHEMBL3169896 0.80 CA2 (0.56) ALDH1A1ALOX15CYP2C9TYRHSD17B10
SCHEMBL105824 0.79 ALDH1A1 (0.45) ALDH1A1ALOX15CYP2C9TYRHSD17B10

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 17 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
EP-2318477-B1 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FUJIFILM ELECTRONIC MAT USA INC (US) 2019-06-05 EP disclosed
US-8252704-B2 Additives to prevent degradation of cyclic alkene derivatives FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2012-08-28 US disclosed
US-20110259242-A1 Additives to Prevent Degradation of Cyclic Alkene Derivatives FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2011-10-27 US disclosed
EP-2373604-A2 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS Dow Global Technologies LLC (US) 2011-10-12 EP disclosed
US-7985350-B2 Additives to prevent degradation of cyclic alkene derivatives FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2011-07-26 US disclosed
EP-2318477-A1 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FujiFilm Electronic Materials USA, Inc. (US) 2011-05-11 EP disclosed
US-20110091651-A1 Additives to Prevent Degradation of Cyclic Alkene Derivatives FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2011-04-21 US disclosed
US-7871536-B2 Additives to prevent degradation of cyclic alkene derivatives FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2011-01-18 US disclosed
WO-2010078512-A2 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-07-08 WO disclosed
WO-2010005937-A1 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2010-01-14 WO disclosed
US-20090291210-A1 Additives to Prevent Degradation of Cyclic Alkene Derivatives FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2009-11-26 US disclosed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-4011181-A POLYURETHANE FOAMS CONTAINING STANNOUS CATECHOL DERIVATIVES OLIN CORPORATION (US) 1977-03-08 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 (4 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-11040987-B2 Penam derivatives for treating bacterial infections BPGM, BLVRB, PREP ALDH1A1 1966/4885ALOX15 1635/4885CYP2C9 1880/4885
US-20110259242-A1 Additives to Prevent Degradation of Cyclic Alkene Derivatives GPX4, GPX1, NFE2L2 ALDH1A1 69/4885ALOX15 82/4885CYP2C9 581/4885
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B ALDH1A1 1061/4885ALOX15 1541/4885CYP2C9 3172/4885
US-20070179179-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ALDH1A1 1061/4885ALOX15 1541/4885CYP2C9 3172/4885

“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.