SCHEMBL3453249

SCHEMBL3453249

CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)O)cc4)CC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 1.00
CYP26A1 O43174 4/20 0.72
CYP26B1 Q9NR63 3/20 0.72
RXRB P28702 11/20 0.67
RXRG P48443 6/20 0.66
RARB P10826 5/20 0.66
RARG P13631 5/20 0.66
RARA P10276 3/20 0.62
CYP3A4 P08684 1/20 0.61
CRABP2 P29373 1/20 0.61

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
SCHEMBL30012842 1.00 RXRA (1.00) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL7760195 0.87 RXRA (0.77) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL2808583 0.84 RXRA (1.00) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL8707418 0.84 RXRA (0.72) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL1073645 0.83 RXRA (0.70) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL726129 0.82 RXRA (1.00) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL7760432 0.82 RXRA (0.69) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL846110 0.82 RARB (0.81) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL29827631 0.82 RARB (0.81) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL20398875 0.82 RXRA (0.69) RXRACYP26A1CYP26B1RXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107072991-A Mankind's administration of inhibitors of phosphatases 莱克斯特生物技术公司 2017-08-18 CN disclosed
US-20160074390-A1 HUMAN DOSING OF PHOSPHATASE INHIBITOR LIXTE BIOTECHNOLOGY, INC. (US) 2016-03-17 US disclosed
EP-2185173-A1 USE OF PHOSPHATASES TO TREAT NEUROBLASTOMAS AND MEDULLOGASTOMAS Lixte Biotechnology, Inc. (US) 2010-05-19 EP disclosed
WO-2009020565-A1 USE OF PHOSPHATES TO TREAT NEUROBLASTOMAS AND MEDULLOGASTOMAS LIXTE BIOTECHNOLOGY, INC. (US) 2009-02-12 WO disclosed
US-20090035292-A1 Use of phosphatases to treat neuroblastomas and medulloblastomas LIXTE BIOTECHNOLOGY, INC. 2009-02-05 US disclosed
US-20090018142-A9 Use of phosphatases to treat tumors overexpressing N-CoR LIXTE BIOTECHNOLOGY, INC. 2009-01-15 US disclosed
EP-1986619-A2 USE OF PHOSPHATASES TO TREAT TUMORS OVEREXPRESSING N-COR Lixte Biotechnology Holdings, Inc. (US) 2008-11-05 EP disclosed
US-20080214569-A1 Use of phosphatases to treat tumors overexpressing N-CoR ZHUANG ZHENGPING 2008-09-04 US disclosed
WO-2007092414-A2 USE OF PHOSPHATASES TO TREAT TUMORS OVEREXPRESSING N-COR LIXTE BIOTECHNOLOGY HOLDINGS, INC. (US) 2007-08-16 WO disclosed
US-20070185055-A1 Method for treating cachexia with retinoid ligands JIANG GUANG LIANG 2007-08-09 US disclosed
US-20070185055-A1 Method for treating cachexia with retinoid ligands JIANG GUANG LIANG 2007-08-09 US disclosed
US-5837725-A Bridged bicyclic aromatic compounds and their use in modulating gene expression of retinoid receptors SRI INTERNATIONAL (US) 1998-11-17 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 (5 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-20160074390-A1 HUMAN DOSING OF PHOSPHATASE INHIBITOR PPM1A, PPP2R2A, PPM1B RXRA 4651/4885CYP26A1 2130/4885CYP26B1 2893/4885
US-20080214569-A1 Use of phosphatases to treat tumors overexpressing N-CoR PTPRC, PTPRCAP, PPP3CA RXRA 244/4885CYP26A1 3802/4885CYP26B1 3707/4885
US-20070185055-A1 Method for treating cachexia with retinoid ligands RXRA, RXRG, RXRB RXRA 1/4885CYP26A1 752/4885CYP26B1 1109/4885
US-20090018142-A9 Use of phosphatases to treat tumors overexpressing N-CoR PTPRC, PTPRCAP, PPP3CA RXRA 244/4885CYP26A1 3802/4885CYP26B1 3707/4885
US-20090035292-A1 Use of phosphatases to treat neuroblastomas and medulloblastomas PPME1, PNKP, PPP6C RXRA 1914/4885CYP26A1 4107/4885CYP26B1 3503/4885

“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.