SCHEMBL5028588

SCHEMBL5028588

c1ccc([PH](c2ccccc2)(c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 5/20 0.35
TSHR P16473 4/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ALOX12 P18054 2/20 0.35
CA12 O43570 1/20 0.35
GLA P06280 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 1/20 0.35
ACHE P22303 1/20 0.35
CA7 P43166 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
HSD17B10 Q99714 2/20 0.33
CYP2A6 P11509 1/20 0.33
MAPT P10636 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
SCHEMBL28797706 0.85 ALDH1A1 (0.35) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL17154314 0.79 TSHR (0.35) ALDH1A1TSHRLMNABBOX1EHMT2
SCHEMBL5694564 0.77 ALDH1A1 (0.35) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL9440080 0.77 LMNA (0.33) ALDH1A1TSHRALOX12LMNAACHE
SCHEMBL25308488 0.76 CA4 (0.59) ALDH1A1TDP1CA1CA2CA9
SCHEMBL28748541 0.75 ALDH1A1 (0.40) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL26674 0.75 ALDH1A1 (0.40) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL8881696 0.72 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCA1CA2
Phosphine SCHEMBL20701190 0.72 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCA1CA2
Fluoride SCHEMBL18936426 0.72 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107417618-A The synthetic method of benzophenanthrene benzoyloxy alkynes biphenyl alkynes benzene bridging list imines dihexyl 桂林理工大学 2017-12-01 CN claimed
CN-107082762-A The synthetic method of benzophenanthrene benzoyloxy alkynes benzyne benzene Qiao Lian perylene list imines dihexyls 桂林理工大学 2017-08-22 CN claimed
CN-107043352-A The synthetic method of benzophenanthrene benzoyloxy alkynes benzene Qiao Lian perylene list imines dihexyls 桂林理工大学 2017-08-15 CN claimed
WO-2023182195-A1 COMPOSITION FOR FORMING CAVITY 日産化学株式会社 2023-09-28 WO disclosed
EP-3331864-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2021-11-03 EP disclosed
WO-2021161360-A1 EPOXY RESIN COMPOSITION, EPOXY RESIN CURED PRODUCT, AND METHOD FOR PRODUCING EPOXY RESIN CURED PRODUCT 三菱電機株式会社 2021-08-19 WO disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 US disclosed
CN-107021983-B The resource recycling Application way of butyl octanol unit rhodium-containing waste liquid 山东博苑医药化学有限公司 2018-03-30 CN disclosed
CN-107827823-A The preparation method of 4,5 dibromo imidazoles 大连奇凯医药科技有限公司 2018-03-23 CN disclosed
US-20170275312-A1 PHOSPHINIC VANADIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID PHOSPHINIC VANADIUM COMPLEX AND PROCESS FOR THE (CO) POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2017-09-28 US disclosed
EP-3107521-A1 ADHESIVE BONDING COMPOSITION AND USE THEREOF 3M Innovative Properties Company (US) 2016-12-28 EP disclosed
US-9394273-B2 Therapeutic prostaglandin receptor agonists ALLERGAN, INC. (US) 2016-07-19 US disclosed
US-20150329518-A1 THERAPEUTIC PROSTAGLANDIN RECEPTOR AGONISTS ALLERGAN, INC. 2015-11-19 US disclosed
WO-2015126865-A1 ADHESIVE BONDING COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-27 WO disclosed
CN-101333234-B Industrial production method for clindamycin or salts thereof CHONGQING CARELIFE PHARMACEUTICAL CO LTD 2012-06-13 CN disclosed
CN-101333234-A Industrial production method for clindamycin or salts thereof CHONGQING CARELIFE PHARMACEUTI (CN) 2008-12-31 CN disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
CN-101084210-A Process DANISCO (DK) 2007-12-05 CN 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-20170275312-A1 PHOSPHINIC VANADIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID PHOSPHINIC VANADIUM COMPLEX AND PROCESS FOR THE (CO) POLYMERIZATION OF CONJUGATED DIENES PNPO, MVD, INPP5D ALDH1A1 4417/4885TDP1 3535/4885TSHR 1259/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 ALDH1A1 4044/4885TDP1 2946/4885TSHR 1235/4885
US-20150329518-A1 THERAPEUTIC PROSTAGLANDIN RECEPTOR AGONISTS PTGIR, PTGDR, PTGFR ALDH1A1 972/4885TDP1 1895/4885TSHR 232/4885
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same HDAC1, HDAC5, HDAC2 ALDH1A1 152/4885TDP1 1817/4885TSHR 2684/4885

“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.