SCHEMBL4922102

SCHEMBL4922102

O=C(O)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.51
PDK2 Q15119 12/20 0.49
SRD5A1 P18405 1/20 0.47
TTR P02766 1/20 0.47
PTPRC P08575 2/20 0.46
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
RXRA P19793 1/20 0.43
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4919036 0.94 SRD5A2 (0.54) SRD5A2PDK2SRD5A1TTRPTPRC
SCHEMBL5846670 0.78 PDK2 (0.55) SRD5A2PDK2SRD5A1TTRPTPRC
SCHEMBL5847201 0.78 PDK2 (0.55) SRD5A2PDK2SRD5A1TTRPTPRC
SCHEMBL31151124 0.78 PDK2 (0.55) SRD5A2PDK2SRD5A1TTRPTPRC
SCHEMBL2456262 0.78 PDK2 (0.55) SRD5A2PDK2SRD5A1TTRPTPRC
SCHEMBL31146728 0.78 PDK2 (0.55) SRD5A2PDK2SRD5A1TTRPTPRC
SCHEMBL30673333 0.77 PGR (0.45) PDK2KMT2A
SCHEMBL29473421 0.77 PGR (0.45) PDK2KMT2A
SCHEMBL4922107 0.77 PGR (0.45) PDK2KMT2A
Hydrochloric Acid SCHEMBL5846911 0.77 PDK2 (0.54) SRD5A2PDK2SRD5A1TTRPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
EP-1852129-A1 REMEDY FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2007-11-07 EP disclosed
EP-1728784-A1 FLUORENE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-06 EP disclosed
EP-1716867-A1 PREVENTIVES FOR MIGRAINE Astellas Pharma Inc. (JP) 2006-11-02 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 (3 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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A SRD5A2 3866/4885PDK2 4410/4885SRD5A1 4124/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C SRD5A2 4493/4885PDK2 4775/4885SRD5A1 4556/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B SRD5A2 1526/4885PDK2 4110/4885SRD5A1 1807/4885

“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.