SCHEMBL6833544

SCHEMBL6833544

CCCCCOc1cc(N)c(O)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.45
▸ PLA2G2A P14555 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ LTA4H P09960 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ THRA P10827 4/20 0.41
▸ THRB P10828 4/20 0.41
▸ BLM P54132 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL26075796 0.81 NR5A1 (0.49) NR5A1PLA2G2ATSHRLTA4HBLM
SCHEMBL28899624 0.75 THRA (0.58) NR5A1PLA2G2ATSHRLTA4HTHRA
SCHEMBL4463386 0.75 MEN1 (0.48) TSHRTHRBBLMCA1CA2
SCHEMBL25990580 0.73 CA1 (0.43) NR5A1PLA2G2ATSHRLTA4HCA12
SCHEMBL12743177 0.73 TSHR (0.49) NR5A1TSHRLTA4HTHRATHRB
SCHEMBL21487237 0.72 ALDH1A1 (0.53) THRBCA12CA1CA2CA7
SCHEMBL38663395 0.72 NR5A1 (0.59) NR5A1TSHRLTA4HTHRBBLM
SCHEMBL12428822 0.72 MAOB (0.44) PLA2G2ATSHRBLMCA12CA1
SCHEMBL168063 0.71 NR5A1 (0.62) NR5A1PLA2G2ALTA4HCNR1CNR2
SCHEMBL7043915 0.71 TSHR (0.65) NR5A1PLA2G2ATSHRLTA4HTHRA

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-20040049072-A1 RXR modulators with improved pharmacologic profile LIGAND PHARMACEUTICALS INC 2004-03-11 — — US disclosed
US-6593493-B1 2-(Carboxy(unsaturated)alkyl)-1-(haloalkoxy)benzene derivatives; retinoid X receptors; cardiovascular, skin, eating and vision disorders; anticarcinogenic agents; non-insulin-dependent diabetes LIGAND PHARMACEUTICALS, INC. 2003-07-15 — — US disclosed
EP-1216221-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-26 — — EP disclosed
WO-2001019770-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-22 — — WO 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-20040049072-A1 RXR modulators with improved pharmacologic profile RXRB, RXRG, RXRA NR5A1 65/4885PLA2G2A 715/4885TSHR 74/4885

“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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