SCHEMBL3126779

SCHEMBL3126779

O=C(C1CC1)C1CC1.c1ccc([PH2](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ELANE P08246 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ GLA P06280 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
Biphenyl SCHEMBL8985996 0.79 NPC1 (0.57) AKR1C3AKR1C1HTTMEN1KMT2A
Chlorobenzene SCHEMBL28133315 0.76 TSHR (0.50) AKR1C3AKR1C1HTTMEN1KMT2A
Bromobenzene SCHEMBL28136917 0.76 ALDH1A1 (0.50) AKR1C3AKR1C1HTTMEN1KMT2A
SCHEMBL11099195 0.74 AKR1C3 (0.66) AKR1C3AKR1C1GAAMAPTNPC1
SCHEMBL3126764 0.74 CYP3A4 (0.52) AKR1C3AKR1C1HTTMEN1KMT2A
SCHEMBL1679860 0.72 ALDH1A1 (0.40) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3126774 0.70 ALDH1A1 (0.32) ALDH1A1
Biphenyl SCHEMBL958818 0.70 HPGD (0.53) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2809108 0.69 ALDH1A1 (0.38) MAPTALDH1A1HPGDLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL29742149 0.69 ALDH1A1 (0.38) MAPTALDH1A1HPGDLMNASMN1; SMN2

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-7829746-B2 Process for the preparation of calcipotriol INSTYTUT FARMACEUTYCZNY (PL) 2010-11-09 — — US disclosed
US-20100222614-A1 PROCESS FOR THE PREPARATION OF CALCIPOTRIOL INSTYTUT FARMACEUTYCZNY (PL) 2010-09-02 — — US disclosed
EP-2178833-A2 PROCESS FOR THE PREPARATION OF CALCIPOTRIOL INSTYTUT FARMACEUTYCZNY (PL) 2010-04-28 — — EP disclosed
WO-2009008754-A2 PROCESS FOR THE PREPARATION OF CALCIPOTRIOL INSTYTUT FARMACEUTYCZNY (PL) 2009-01-15 — — 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-20100222614-A1 PROCESS FOR THE PREPARATION OF CALCIPOTRIOL CYP2R1, CYP24A1, DHCR24 AKR1C3 10/4885AKR1C1 35/4885HTT 4677/4885

“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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