SCHEMBL8806449

SCHEMBL8806449

CCOc1c2occc2cc2ccc(=O)oc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.71
MAOA P21397 4/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2D6 P10635 2/20 0.71
CYP2A6 P11509 2/20 0.71
ACHE P22303 2/20 0.71
CYP2C19 P33261 2/20 0.71
TSHR P16473 1/20 0.71
PDE4A P27815 1/20 0.71
MAPK1 P28482 1/20 0.71
SLC6A3 Q01959 1/20 0.71
CYP2A13 Q16696 1/20 0.71
ALDH1A1 P00352 4/20 0.68
BACE1 P56817 2/20 0.68
GAA P10253 2/20 0.68
ABCB1 P08183 1/20 0.68
CYP1B1 Q16678 1/20 0.68
RECQL P46063 1/20 0.68
KCNA3 P22001 3/20 0.64
KCNA5 P22460 2/20 0.64

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
SCHEMBL9184365 0.89 MAOA (0.76) CYP3A4MAOACYP1A2CYP2D6CYP2A6
SCHEMBL18788617 0.87 MAOA (0.78) CYP3A4MAOACYP1A2CYP2D6CYP2A6
SCHEMBL7781220 0.86 CYP3A4 (0.72) CYP3A4MAOACYP1A2CYP2D6CYP2A6
SCHEMBL18788613 0.85 MAOA (0.74) CYP3A4MAOACYP1A2CYP2D6CYP2A6
SCHEMBL18788619 0.85 MAOA (0.74) CYP3A4MAOACYP1A2CYP2D6CYP2A6
SCHEMBL20278633 0.85 ALDH1A1 (0.61) CYP3A4MAOACYP1A2CYP2D6CYP2A6
SCHEMBL18788581 0.85 CA9 (0.70) CYP3A4MAOACYP1A2CYP2D6CYP2A6
SCHEMBL13920857 0.84 MAOA (0.69) CYP3A4MAOACYP1A2CYP2D6CYP2A6
Methoxsalen SCHEMBL2302069 0.83 CYP3A4 (1.00) CYP3A4MAOACYP1A2CYP2D6CYP2A6
Methoxsalen SCHEMBL29376525 0.83 CYP3A4 (1.00) CYP3A4MAOACYP1A2CYP2D6CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702568-A1 AN EMOLLIENT COMPOSITION BIOGLAN IRELAND (R & D) LIMITED (IE) 1996-03-27 EP claimed
WO-1992017208-A1 AN EMOLLIENT COMPOSITION BIOGLAN LABORATORIES LTD. (GB) 1992-10-15 WO claimed
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2018-06-21 US disclosed
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2018-06-21 US disclosed
US-20170113061-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2017-04-27 US disclosed
US-20160129027-A1 CLEAVABLE DRUG CONJUGATES, COMPOSITIONS THEREOF AND METHODS OF USE Nguyen, Mark Quang (US) 2016-05-12 US disclosed
US-9295731-B2 Cleavable drug conjugates, compositions thereof and methods of use Nguyen, Mark Quang (US) 2016-03-29 US disclosed
US-20140294851-A1 CLEAVABLE DRUG CONJUGATES, COMPOSITIONS THEREOF AND METHODS OF USE Nguyen, Mark Quang (US) 2014-10-02 US disclosed
US-20140249319-A1 CHEMICAL CROSSLINKERS AND COMPOSITIONS THEREOF Nguyen, Mark Quang (US) 2014-09-04 US disclosed
US-20090258381-A1 Methods for Determining the Cleavability of Substrates FORSCHUNGSZENTRUM BORSTEL (DE) 2009-10-15 US disclosed
EP-0788345-A1 PROTEINACEOUS MATERIALS AND FORMULATIONS FOR SUNBURN CELL PROTECTION NURTURE, Inc. (US) 1997-08-13 EP disclosed
EP-0702568-A1 AN EMOLLIENT COMPOSITION BIOGLAN IRELAND (R & D) LIMITED (IE) 1996-03-27 EP disclosed
WO-1995011663-A1 PROTEINACEOUS MATERIALS AND FORMULATIONS FOR SUNBURN CELL PROTECTION NURTURE, INC. (US) 1995-05-04 WO disclosed
WO-1992017208-A1 AN EMOLLIENT COMPOSITION BIOGLAN LABORATORIES LTD. (GB) 1992-10-15 WO 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 (6 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-20160129027-A1 CLEAVABLE DRUG CONJUGATES, COMPOSITIONS THEREOF AND METHODS OF USE PAICS, FOLH1, DHFR CYP3A4 675/4885MAOA 1095/4885CYP1A2 1847/4885
US-20140249319-A1 CHEMICAL CROSSLINKERS AND COMPOSITIONS THEREOF CBR3, ERCC5, LIG3 CYP3A4 1525/4885MAOA 1267/4885CYP1A2 1402/4885
US-20140294851-A1 CLEAVABLE DRUG CONJUGATES, COMPOSITIONS THEREOF AND METHODS OF USE PAICS, FOLH1, DHFR CYP3A4 675/4885MAOA 1095/4885CYP1A2 1847/4885
US-20170113061-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES NFATC1, CDK10, CDK20 CYP3A4 2797/4885MAOA 1698/4885CYP1A2 2315/4885
US-20090258381-A1 Methods for Determining the Cleavability of Substrates CTSF, ADAM17, ADAM10 CYP3A4 283/4885MAOA 742/4885CYP1A2 738/4885
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES NFATC1, CDK10, PDCD10 CYP3A4 2619/4885MAOA 1133/4885CYP1A2 2165/4885

“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.