SCHEMBL3530711

SCHEMBL3530711

CCC(C(=O)C(=O)O)C1(c2cccc(Cl)c2OC)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.34
TSHR P16473 1/20 0.33
MME P08473 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
HDAC4 P56524 1/20 0.32
KCNA3 P22001 1/20 0.32
CTSA P10619 1/20 0.31
POLB P06746 1/20 0.31
HTR1D P28221 2/20 0.31
AKR1B1 P15121 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31

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
SCHEMBL3535525 0.94 HDAC4 (0.35) ALDH1A1KDM4EHSD17B10KMT2ANOTUM
SCHEMBL3537379 0.85 KMT2A (0.32) ALDH1A1KDM4EKMT2AAKR1C3AKR1C2
SCHEMBL3529757 0.80 HDAC4 (0.35) KMT2AAKR1C3AKR1C2HDAC4
SCHEMBL3534122 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10KMT2ANOTUM
SCHEMBL3547097 0.69 P2RX7 (0.39) ALDH1A1KDM4EHSD17B10KMT2ANOTUM
SCHEMBL3534895 0.68 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10KMT2ANOTUM
SCHEMBL3530707 0.66 GPR35 (0.36) ALDH1A1KDM4EHSD17B10KMT2ANOTUM
SCHEMBL3533238 0.65 HDAC4 (0.43) ALDH1A1KMT2AHDAC4POLB
SCHEMBL4597582 0.65 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10KMT2ANOTUM
SCHEMBL3535522 0.64 HDAC4 (0.38) ALDH1A1KDM4EHSD17B10KMT2ATSHR

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-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
US-7638515-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-29 US disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 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 (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-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES ALDH1A1 511/4885KDM4E 3610/4885HSD17B10 174/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES ALDH1A1 280/4885KDM4E 3612/4885HSD17B10 177/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES ALDH1A1 511/4885KDM4E 3610/4885HSD17B10 174/4885

“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.