SCHEMBL2777290

SCHEMBL2777290

NCCCCCCc1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.58
DHODH Q02127 1/20 0.54
SLC16A3 O15427 10/20 0.54
HMGB1 P09429 1/20 0.53
MAOA P21397 1/20 0.47
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
BID P55957 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
BAK1 Q16611 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
SCHEMBL1417089 0.98 FOLH1 (0.59) FOLH1DHODHSLC16A3HMGB1MAOA
SCHEMBL9839456 0.93 FOLH1 (0.61) FOLH1DHODHSLC16A3HMGB1ALDH1A1
SCHEMBL9345842 0.91 FOLH1 (0.68) FOLH1DHODHSLC16A3HMGB1ALDH1A1
SCHEMBL729909 0.89 FOLH1 (0.70) FOLH1DHODHSLC16A3HMGB1ALDH1A1
SCHEMBL1257329 0.86 FOLH1 (0.58) FOLH1DHODHSLC16A3HMGB1ALDH1A1
SCHEMBL8366893 0.86 MAPT (0.42) FOLH1DHODHSLC16A3HMGB1MAOA
SCHEMBL29690496 0.86 MAPT (0.42) FOLH1DHODHSLC16A3HMGB1MAOA
SCHEMBL31484803 0.85 HMGB1 (0.70) FOLH1DHODHSLC16A3HMGB1ALDH1A1
SCHEMBL1449563 0.85 HMGB1 (0.70) FOLH1DHODHSLC16A3HMGB1ALDH1A1
SCHEMBL9809330 0.85 HMGB1 (0.53) FOLH1DHODHSLC16A3HMGB1BID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
EP-2196451-A1 ACYLATION REACTION OF HYDROXYL GROUP Takasago International Corporation (JP) 2010-06-16 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 (2 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-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM FOLH1 3395/4885DHODH 540/4885SLC16A3 1062/4885
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM FOLH1 3395/4885DHODH 540/4885SLC16A3 1062/4885

“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.