SCHEMBL669017

SCHEMBL669017

CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
CYP19A1 P11511 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
KIF11 P52732 2/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL30177009 1.00 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL15849058 0.85 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18542709 0.85 TSHR (0.32) TSHR
SCHEMBL24272576 0.84 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7560736 0.80 SHBG (0.42) LMNAMAPTMEN1GAAKMT2A
SCHEMBL668583 0.80 DRD1 (0.33) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL27814761 0.80
SCHEMBL27537721 0.78 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL21970457 0.77 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL25872809 0.76 PDK2 (0.36) ALDH1A1NPC1RAB9AL3MBTL1MAPT

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
CN-115621528-A Pre-lithiation method of battery negative electrode, pre-lithiation negative electrode sheet and lithium ion battery 比亚迪股份有限公司 2023-01-17 CN disclosed
WO-2020040329-A1 THERMALLY ACTIVATED DELAYED FLUORESCENT COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 대구대학교 산학협력단 2020-02-27 WO disclosed
WO-2020040329-A1 THERMALLY ACTIVATED DELAYED FLUORESCENT COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 대구대학교 산학협력단 2020-02-27 WO disclosed
US-8912346-B2 Palladium phosphine complexes for the telomerization of butadiene DOW GLOBAL TECHNOLOGIES LLC (US) 2014-12-16 US disclosed
EP-2431375-B1 PALLADIUM PHOSPHINE COMPLEXES FOR THE TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES LLC (US) 2013-05-01 EP disclosed
EP-2431375-A2 PALLADIUM PHOSPHINE COMPLEXES FOR THE TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (US) 2012-03-21 EP disclosed
US-20120046475-A1 PALLADIUM PHOSPHINE COMPLEXES FOR THE TELEOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-23 US disclosed
US-7910760-B2 Semi-rigid linked diamines, precursors therefor, and transition metal diamido complexes as catalysts for olefin polymerization processes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 US disclosed
EP-2291242-A1 SEMI-RIGID LINKED DIAMINES, PRECURSORS THERFOR, AND TRANSITION METAL DIAMIDO COMPLEXES AS CATALYSTS FOR OLEFIN POLYMERIZATION PROCESSES ExxonMobil Chemical Patents Inc. (US) 2011-03-09 EP disclosed
WO-2009129004-A1 SEMI-RIGID LINKED DIAMINES, PRECURSORS THERFOR, AND TRANSITION METAL DIAMIDO COMPLEXES AS CATALYSTS FOR OLEFIN POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-10-22 WO disclosed
US-20090259085-A1 Semi-Rigid Linked Diamines, Precursors Therefor, And Transition Metal Diamido Complexes As Catalysts For Olefin Polymerization Processes EXXONMOBIL CHEMICAL PATENTS INC. 2009-10-15 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 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 (3 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-20090259085-A1 Semi-Rigid Linked Diamines, Precursors Therefor, And Transition Metal Diamido Complexes As Catalysts For Olefin Polymerization Processes OR10J3, CBR3, OR51E2 ALDH1A1 2962/4885HPGD 3217/4885ALOX15 2070/4885
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH ALDH1A1 1638/4885HPGD 1088/4885ALOX15 1827/4885
US-20120046475-A1 PALLADIUM PHOSPHINE COMPLEXES FOR THE TELEOMERIZATION OF BUTADIENE TTI1, TTI2, PAXBP1 ALDH1A1 4663/4885HPGD 1595/4885ALOX15 1831/4885

“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.