SCHEMBL23227828

SCHEMBL23227828

N#CCCOCC(COCCC#N)(COCCC#N)COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NAAA Q02083 1/20 0.37
CHRM3 P20309 3/20 0.36
CA1 P00915 1/20 0.36
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSK P43235 2/20 0.35
GUSB P08236 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSS P25774 1/20 0.34
GHSR Q92847 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL5447262 0.86 TSHR (0.56) TSHRMAOBCYP3A4CYP2C9CYP2C19
SCHEMBL11146323 0.82 TSHR (0.67) TSHRKDM4EPOLBNAAACA1
Biphenyl SCHEMBL27837369 0.81 TSHR (0.50) TSHRMAOBCYP3A4CYP2C9CYP2C19
SCHEMBL26812996 0.79 TSHR (0.48) TSHRMAOBCYP3A4CYP2C9CYP2C19
SCHEMBL26813025 0.79 TSHR (0.48) TSHRMAOBCYP3A4CYP2C9CYP2C19
SCHEMBL1344130 0.78 ALDH1A1 (0.37) TSHRCYP3A4
SCHEMBL21415433 0.77 TSHR (0.50) TSHRKDM4EPOLBCYP3A4NAAA
SCHEMBL13813150 0.75 ALDH1A1 (0.35)
SCHEMBL3648830 0.75 TSHR (0.52) TSHRMAOBCYP3A4CYP2C9CYP2C19
SCHEMBL16248689 0.75 KDM4E (0.53) TSHRKDM4EPOLBCHRM3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240173305-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 US disclosed
EP-3813946-B1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-05-22 EP disclosed
CN-117843659-A Rapamycin analogues and uses thereof 詹森药业有限公司 2024-04-09 CN disclosed
US-11944605-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-04-02 US disclosed
EP-4302827-A2 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN Pharmaceutica NV (BE) 2024-01-10 EP disclosed
CN-112423843-B Rapamycin analogues and uses thereof 詹森药业有限公司 2023-11-28 CN disclosed
US-20210220339-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-07-22 US disclosed
US-20210220339-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-07-22 US disclosed
EP-3813946-A1 RAPAMYCIN ANALOGS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2021-05-05 EP disclosed
US-10980784-B2 Rapamycin analogs and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2021-04-20 US disclosed
US-10980784-B2 Rapamycin analogs and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2021-04-20 US disclosed
CN-112423843-A Rapamycin analogs and uses thereof 纳维托制药有限公司 2021-02-26 CN 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-10980784-B2 Rapamycin analogs and uses thereof RICTOR, MTOR, RPTOR TSHR 3810/4885KDM4E 1565/4885POLB 3464/4885
US-20210220339-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR TSHR 3810/4885KDM4E 1565/4885POLB 3464/4885
US-11944605-B2 Rapamycin analogs and uses thereof RICTOR, MTOR, RPTOR TSHR 3810/4885KDM4E 1565/4885POLB 3464/4885
US-20240173305-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR TSHR 3810/4885KDM4E 1565/4885POLB 3464/4885

“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.