SCHEMBL10700083

SCHEMBL10700083

CCC(O)COc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CASR P41180 1/20 0.48
CACNA1G O43497 2/20 0.48
KCNH2 Q12809 1/20 0.48
ABCB1 P08183 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4049993 0.94 TSHR (0.51) TSHRNPC1MAPTLMNAPOLB
SCHEMBL29620677 0.92 MAPT (0.57) TSHRMAPTLMNAPOLBNPSR1
SCHEMBL14441424 0.86 ALDH1A1 (0.53) TSHRMAPTLMNAPOLBNPSR1
SCHEMBL15140443 0.85 MEN1 (0.51) TSHRNPC1MAPTLMNAPOLB
SCHEMBL15140376 0.85 TSHR (0.52) TSHRNPC1MAPTLMNAPOLB
SCHEMBL9774699 0.84 AR (0.53) TSHRNPC1MAPTLMNAPOLB
SCHEMBL6491452 0.84 AR (0.53) TSHRNPC1MAPTLMNAPOLB
SCHEMBL6491459 0.84 AR (0.53) TSHRNPC1MAPTLMNAPOLB
SCHEMBL1496665 0.84 POLB (0.57) TSHRMAPTLMNAPOLBNPSR1
SCHEMBL16348229 0.84 TSHR (0.62) TSHRNPC1MAPTLMNAPOLB

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
WO-2021050538-A1 METHODS AND MATERIALS FOR INCREASING LEVEL OF PHOSPHORYLATED AMPK PROTEIN UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-03-18 WO disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 US disclosed
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 US disclosed
EP-0269383-A2 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-06-01 EP 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-20070259881-A1 Substituted Imidazo Ring Systems and Methods IL2, IL4, IRF3 TSHR 399/4885NPC1 3659/4885MAPT 4499/4885
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A TSHR 179/4885NPC1 2528/4885MAPT 3030/4885

“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.