SCHEMBL207990

SCHEMBL207990

[C]#Cc1ccc(C#C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KEAP1 Q14145 1/20 0.35
PTPN1 P18031 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35

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
SCHEMBL28871 0.83 HDAC8 (0.59) HDAC8CA12CA1CA2CA4
Ammonia Solution, Strong SCHEMBL22721248 0.79 HDAC8 (0.56) HDAC8CA12CA1CA2CA4
SCHEMBL10481152 0.79 HDAC8 (0.56) HDAC8CA12CA1CA2CA4
SCHEMBL1306534 0.73 HDAC8 (0.50) HDAC8CA12CA1CA2CA4
SCHEMBL139611 0.73 HDAC8 (0.50) HDAC8CA12CA1CA2CA4
SCHEMBL139848 0.73 HDAC8 (0.50) HDAC8CA12CA1CA2CA4
Water SCHEMBL11190539 0.71 HDAC8 (0.48) HDAC8CA12CA1CA2CA4
SCHEMBL10481156 0.71 HDAC8 (0.48) HDAC8CA12CA1CA2CA4
SCHEMBL165547 0.69 KIF11 (0.52) HDAC8CA12CA1CA2CA4
SCHEMBL5181294 0.69 ESR1 (0.46) HDAC8CA12CA1CA2CA4

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP claimed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US claimed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US claimed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US claimed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US claimed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US claimed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US claimed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP claimed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP claimed
EP-4379888-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY PROVIDED WITH SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-06-05 EP disclosed
EP-4379833-A1 NEGATIVE ELECTRODE, LITHIUM ION SECONDARY BATTERY, AND MANUFACTURING METHOD FOR LITHIUM ION SECONDARY BATTERY SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-06-05 EP disclosed
CN-117836963-A Negative electrode, lithium ion secondary battery, and method for manufacturing lithium ion secondary battery 信越化学工业株式会社 2024-04-05 CN disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (6 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S HDAC8 3100/4885CA12 2480/4885CA1 1918/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 HDAC8 1700/4885CA12 4436/4885CA1 3764/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 HDAC8 2121/4885CA12 3135/4885CA1 1171/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R HDAC8 2984/4885CA12 3961/4885CA1 2347/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R HDAC8 2984/4885CA12 3961/4885CA1 2347/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R HDAC8 2984/4885CA12 3961/4885CA1 2347/4885

“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.