SCHEMBL516181

SCHEMBL516181

O=CC(O)c1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
BCL2L1 Q07817 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 2/20 0.39
BCAT2 O15382 1/20 0.38
PTGER4 P35408 1/20 0.38
PTPN1 P18031 2/20 0.37
PTPRC P08575 1/20 0.37
PTPRF P10586 1/20 0.37
CDC25B P30305 1/20 0.37
BACE1 P56817 1/20 0.37
HNF4A P41235 1/20 0.36
P2RX7 Q99572 1/20 0.36
CYP2A6 P11509 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
SCHEMBL8717008 0.80 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL6630718 0.77 ABL1 (0.50) ALDH1A1KMT2APTPN1CYP2A6SMN1; SMN2
SCHEMBL487401 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL14471688 0.76 BACE1 (0.50) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL5949997 0.76 CASP1 (0.41) CASP1ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL8602846 0.76 CA12 (0.42) CASP1ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL8340887 0.76 CYP2A6 (0.40) CASP1ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL11635485 0.76 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL8627009 0.74 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL4886483 0.73 LMNA (0.50) CASP1ALDH1A1HSD17B10HPGDBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841491-B2 Method for producing fluorene derivative TAOKA CHEMICAL CO., LTD. (JP) 2014-09-23 US disclosed
EP-2420485-A1 METHOD FOR PRODUCING FLUORENE DERIVATIVE Taoka Chemical Co., Ltd. (JP) 2012-02-22 EP disclosed
US-20120029244-A1 METHOD FOR PRODUCING FLUORENE DERIVATIVE TAOKA CHEMICAL CO., LTD. (JP) 2012-02-02 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-20120029244-A1 METHOD FOR PRODUCING FLUORENE DERIVATIVE ADH1A, AFF2, AFF1 CASP1 2923/4885ALDH1A1 119/4885HSD17B10 84/4885

“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.