SCHEMBL14044784

SCHEMBL14044784

CCCOc1ccc2c(c1)CCC1C2CC[C@]2(C)C(=O)CCC12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.74
KDM4E B2RXH2 2/20 0.74
LMNA P02545 2/20 0.74
MAPT P10636 2/20 0.74
ALDH1A1 P00352 1/20 0.74
RECQL P46063 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
STS P08842 9/20 0.70
CA1 P00915 3/20 0.69
CA2 P00918 3/20 0.69
CA9 Q16790 3/20 0.69
ESR1 P03372 2/20 0.69
ESR2 Q92731 2/20 0.69
ABCC4 O15439 1/20 0.69
CYP2C9 P11712 1/20 0.69
ABCC1 P33527 1/20 0.69
SLCO1B1 Q9Y6L6 1/20 0.69
CA4 P22748 1/20 0.69
CA6 P23280 1/20 0.69
CYP3A4 P08684 3/20 0.65

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
SCHEMBL11672003 1.00 HSD17B1 (0.74) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL6691697 0.96 HSD17B1 (0.74) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL10134113 0.96 HSD17B1 (0.74) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL7755033 0.92 HSD17B1 (0.74) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL11671118 0.91 HSD17B1 (0.78) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL5527434 0.91 HSD17B1 (0.78) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL6694124 0.91 KDM4E (0.71) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL6696320 0.91 HSD17B1 (0.77) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL9633204 0.90 KDM4E (0.75) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL14377634 0.90 KDM4E (0.72) HSD17B1KDM4ELMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382288-B2 Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2016-07-05 US disclosed
EP-2013221-B1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY UNIV TEXAS (US) 2015-06-24 EP disclosed
US-8758723-B2 Compositions and methods for cellular imaging and therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-24 US disclosed
US-8758723-B2 Compositions and methods for cellular imaging and therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-24 US disclosed
US-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-10-10 US disclosed
WO-2008130439-A1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-10-30 WO disclosed
WO-2007120153-A1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-10-25 WO disclosed
US-20070248537-A1 Compositions and Methods for Cellular Imaging and Therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-25 US disclosed
US-20070248537-A1 Compositions and Methods for Cellular Imaging and Therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-25 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 (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-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION HSD17B7, CYP21A2, CYP17A1 HSD17B1 12/4885KDM4E 1866/4885LMNA 681/4885
US-20070248537-A1 Compositions and Methods for Cellular Imaging and Therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCL, NME4 HSD17B1 4780/4885KDM4E 3676/4885LMNA 436/4885

“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.