SCHEMBL7035250

SCHEMBL7035250

NC(=O)N=NC(=O)N(N1CCCCC1)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7025888 0.82 ALDH1A1 (0.39) ALDH1A1CYP3A4HPGDEHMT2HSD17B10
SCHEMBL4057481 0.81 KDM4E (0.37) ALDH1A1CYP3A4HPGDEHMT2HSD17B10
SCHEMBL4435493 0.75 L3MBTL1 (0.39) ALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL25312951 0.73 L3MBTL1 (0.38) ALDH1A1HPGDL3MBTL1
SCHEMBL9872779 0.67 L3MBTL1 (0.37) L3MBTL1
SCHEMBL23850269 0.66 ALDH1A1 (0.38) ALDH1A1HPGDL3MBTL1
SCHEMBL28463998 0.66 ALDH1A1 (0.48) ALDH1A1CYP3A4HPGDEHMT2HSD17B10
SCHEMBL5002021 0.64 ALDH1A1 (0.36) ALDH1A1HPGD
E927A SCHEMBL5599354 0.63 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDEHMT2HSD17B10
E927A SCHEMBL36851 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3043813-B2 2000-05-22 JP claimed
US-5874577-A Method for the preparing 9-12-(Diethoxyphosphonomethoxy)ethyl!adenine and analogues thereof MEDICHEM RESEARCH, INC. (US) 1999-02-23 US claimed
US-5847164-A Method for the preparation of chromanone 7 SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1998-12-08 US claimed
EP-0775130-A1 METHOD FOR THE PREPARATION OF (+/-)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1997-05-28 EP claimed
WO-1996004263-A1 METHOD FOR THE PREPARATION OF (±)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1996-02-15 WO claimed
EP-1308448-A1 Method for the preparation of chromanone Sarawak Medichem Pharmaceuticals Inc. (US) 2003-05-07 EP disclosed
EP-0775130-B1 METHOD FOR THE PREPARATION OF (+/-)-CALANOLIDE A AND INTERMEDIATES THEREOF SARAWAK MEDICHEM PHARMACEUTICALS INC (US) 2003-05-02 EP disclosed
EP-1143952-B1 METHOD AND COMPOSITION FOR TREATING AND PREVENTING TUBERCULOSIS SARAWAK MEDICHEM PHARMACEUTICALS INC (US) 2003-02-26 EP disclosed
US-20020013478-A1 Calanolide analogues and methods of their use SARAWAK MEDICHEM PHARMACEUTICALS,INC. 2002-01-31 US disclosed
US-6277879-B1 VIRICIDES SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2001-08-21 US disclosed
US-6268393-B1 CALANOLIDES AND ANALOGUES THEREOF SARAWAK MEDICHEM PHARMACEUTICALS 2001-07-31 US disclosed
EP-1054007-A2 Method for the preparation of (+/-)-calanolide A MEDICHEM RESEARCH, INC. (US) 2000-11-22 EP disclosed
US-5869324-A Method for the preparation of (±)-calanolide A and intermediates thereof SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1999-02-09 US disclosed
US-5859050-A ADMINISTERING TO PREVENT OR TREAT A VIRAL INFECTION SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1999-01-12 US disclosed
US-5847164-A Method for the preparation of chromanone 7 SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1998-12-08 US disclosed
US-5840921-A Method for the preparation of aldol product 7B SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1998-11-24 US disclosed
WO-1998038193-A1 METHOD FOR THE PREPARATION OF (+)-CALANOLIDE A AND ANALOGUES THEREOF MEDICHEM RESEARCH, INC. (US) 1998-09-03 WO disclosed
EP-0775130-A1 METHOD FOR THE PREPARATION OF (+/-)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1997-05-28 EP disclosed
WO-1996004263-A1 METHOD FOR THE PREPARATION OF (±)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1996-02-15 WO disclosed
US-5055545-A Paint primers; bonding strength; tire sidewalls; decoration BRIDGESTONE/FIRESTONE, INC. (US) 1991-10-08 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 (1 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-20020013478-A1 Calanolide analogues and methods of their use HAVCR2, ZC3HAV1, CYP51A1 ALDH1A1 3786/4885CYP3A4 81/4885HPGD 2567/4885

“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.