SCHEMBL20155928

SCHEMBL20155928

CCc1ccc(C2CCC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.47
PDE4B Q07343 10/20 0.47
PDE4C Q08493 7/20 0.47
PDE4D Q08499 7/20 0.47
HTR2A P28223 3/20 0.47
QDPR P09417 2/20 0.44
CYP3A4 P08684 2/20 0.40
VEGFA P15692 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CREBBP Q92793 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE5A O76074 1/20 0.40
TNF P01375 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL20073697 0.93 QDPR (0.46) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL12074537 0.84 QDPR (0.65) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL13063388 0.82 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL10246888 0.82 HTR2A (0.50) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL9188312 0.80 NR3C1 (0.60) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL11487284 0.79 MEN1 (0.51) PDE4APDE4BPDE4CPDE4DHTR2A
Bicarbonate SCHEMBL9574485 0.77 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL11719342 0.76 MEN1 (0.45) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL11477940 0.76 FFAR4 (0.48) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL23288648 0.76 QDPR (0.46) PDE4APDE4BPDE4CPDE4DHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-10323036-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2019-06-18 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 PDE4A 4423/4885PDE4B 4309/4885PDE4C 4376/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 PDE4A 4423/4885PDE4B 4309/4885PDE4C 4376/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 PDE4A 4423/4885PDE4B 4309/4885PDE4C 4376/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 PDE4A 4423/4885PDE4B 4309/4885PDE4C 4376/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 PDE4A 4423/4885PDE4B 4309/4885PDE4C 4376/4885

“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.