SCHEMBL7115337

SCHEMBL7115337

O=C(O)Cc1ccc2c(c1)CCc1c(O)cc(O)cc1O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 3/20 0.47
▸ GAA P10253 5/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ RGS12 O14924 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ GNAI1 P63096 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ RAB9A P51151 2/20 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
SCHEMBL14098102 0.83 MAPKAPK2 (0.36) GAALMNAHPGDHSD17B10ALDH1A1
SCHEMBL14098220 0.82 CALM1 (0.38) GAAMAPTALOX15
SCHEMBL14098195 0.80 SLC28A3 (0.37) GAALMNAHPGDHSD17B10KDM4E
SCHEMBL14098202 0.79 CTSB (0.33) —
SCHEMBL11167585 0.78 AKR1B1 (0.49) AKR1B1GAALMNAHPGDHSD17B10
SCHEMBL14098262 0.77 RAB9A (0.44) GAALMNATDP1MAPTALDH1A1
Ammonia Solution, Strong SCHEMBL11659437 0.77 AKR1B1 (0.48) AKR1B1GAALMNAHPGDHSD17B10
SCHEMBL5100866 0.77 PTGS2 (0.42) LMNAHSD17B10TSHRTDP1KDM4E
SCHEMBL7117535 0.76 HSD17B1 (0.41) HPGDKDM4EPOLBMAPTAPEX1
SCHEMBL5112413 0.76 ATM (0.45) HPGDMAPTALDH1A1HTTMEN1

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-20030065021-A1 Tracheal smooth muscle relaxants YAMASHITA SHINYA (JP) 2003-04-03 — — US disclosed
US-6495592-B1 DIBENZ(B,F)OXEPIN DERIVATIVES; ANTIASTHMATICS NIPPON SUISAN KAISHA, LTD. (JP) 2002-12-17 — — US disclosed
US-6180659-B1 USING A DIBENZO(B,F)-(OXEPIN OR THIEPIN) COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-01-30 — — US disclosed
EP-0885610-A1 TRACHEAL SMOOTH MUSCLE RELAXANT NIPPON SUISAN KAISHA, LTD. (JP) 1998-12-23 — — 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 (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-20030065021-A1 Tracheal smooth muscle relaxants MYLK, MUSK, CPT1B AKR1B1 331/4885GAA 4581/4885LMNA 1131/4885

“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.

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