SCHEMBL10241591

SCHEMBL10241591

O=C(c1cc(Br)ccc1O)C1CCCc2ccc(C(F)(F)F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.44
TMPRSS4 Q9NRS4 1/20 0.43
SLC6A4 P31645 1/20 0.39
GAA P10253 1/20 0.39
PPIB P23284 1/20 0.38
PPIA P62937 1/20 0.38
PPID Q08752 1/20 0.38
CES2 O00748 1/20 0.38
GALR3 O60755 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGES O14684 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL12126018 0.76 HTR2A (0.46) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL331761 0.71 PDK1 (0.52) TMPRSS4CYP2C9HTR2AHTR2CKMT2A
SCHEMBL30799691 0.70 KDM1A (0.48) PIN1CES2HTR2AHTR2CHTR2B
SCHEMBL3353429 0.69 SIRT1 (0.44) HTR2AHTR2CHTR2BTAS1R3TAS1R1
SCHEMBL22823915 0.66 HPGD (0.56) GAACES2GALR3CYP1A2CYP2C9
SCHEMBL22652430 0.66 KMT2A (0.41) SLC6A4HTR2AHTR2CHTR2BLMNA
SCHEMBL13306301 0.65 HTR2C (0.63) SLC6A4HTR2AHTR2CHTR2B
SCHEMBL15336335 0.65 CYP11B1 (0.51) SLC6A4HTR2AHTR2CHTR2B
SCHEMBL15336336 0.65 CYP11B1 (0.51) SLC6A4HTR2AHTR2CHTR2B
SCHEMBL16727178 0.65 HTR2C (0.63) SLC6A4HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 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 (1 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A PIN1 3462/4885TMPRSS4 1813/4885SLC6A4 3933/4885

“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.