SCHEMBL3079998

SCHEMBL3079998

CCC(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
IDO1 P14902 1/20 0.44
TP53 P04637 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
AGXT P21549 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RCE1 Q9Y256 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL2874130 0.91 TSHR (0.44) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL21677653 0.90 RCE1 (0.49) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL15441202 0.88 SLC1A3 (0.42) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL28693708 0.85 TSHR (0.39) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL18248540 0.83 SLC1A3 (0.46) TP53SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL2640220 0.83 TSHR (0.44) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL9915100 0.82 TSHR (0.48) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL17471375 0.82 ALDH1A1 (0.53) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL28694581 0.82 SLC1A3 (0.38) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL3276722 0.81 TSHR (0.52) TSHRIDO1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates AMGEN INC. (US) 2023-06-08 US disclosed
WO-2021225823-A1 SYNTHESIS OF VINYLIC PROTECTED ALCOHOL INTERMEDIATES AMGEN INC. (US) 2021-11-11 WO disclosed
US-20190241587-A1 Hydroxide-Catalyzed Formation Of Silicon-Oxygen Bonds By Dehydrogenative Coupling Of Hydrosilanes And Alcohols CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-08-08 US disclosed
US-8629268-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-01-14 US disclosed
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-21 US disclosed
US-8227645-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-07-24 US disclosed
US-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 US disclosed
WO-2007097719-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2007-08-30 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 (4 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND DHPS, GGPS1, COASY TSHR 4592/4885IDO1 3519/4885TP53 4471/4885
US-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates MCL1, BCL2A1, BAK1 TSHR 2499/4885IDO1 2038/4885TP53 235/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 TSHR 4497/4885IDO1 3371/4885TP53 4205/4885
US-20190241587-A1 Hydroxide-Catalyzed Formation Of Silicon-Oxygen Bonds By Dehydrogenative Coupling Of Hydrosilanes And Alcohols SORD, ADH1A, ADH1C TSHR 4752/4885IDO1 2584/4885TP53 2393/4885

“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.